ChemX
Collection
A Collection of Chemistry Datasets for Benchmarking Automated Information Extraction. More info at https://github.com/ai-chem/ChemX • 10 items • Updated
pdf string | doi string | supplementary int64 | authors string | title string | journal string | year int64 | page float64 | access int64 | name_cocrystal string | name_cocrystal_type_file string | name_cocrystal_page string | name_cocrystal_origin int64 | ratio_cocrystal string | ratio_cocrystal_page string | ratio_cocrystal_page.1 string | ratio_cocrystal_origin float64 | name_drug string | name_drug_type_file string | name_drug_origin string | name_drug_page int64 | SMILES_drug string | SMILES_drug_type_file string | SMILES_drug_origin string | SMILES_drug_page float64 | name_coformer string | name_coformer_type file string | name_coformer_origin string | name_coformer_page float64 | SMILES_coformer string | SMILES_coformer_type file string | SMILES_coformer_origin string | SMILES_coformer_page float64 | photostability_change string | photostability_change_type_file string | photostability_change_origin string | photostability_change_page float64 |
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Wang2024 | 10.1016/j.molstruc.2024.139270 | 1 | Z. Wang, S. Li, Y. Tao, R. Zheng, S. Yang, D. Yang, S. Wang, L. Zhang, J. Xing, G. Du, Y. Lu | The novel cocrystals of acacetin with 4,4 ?-bipyridine and 2,2-bipyridine: Crystal structures analysis, stability and dissolution evaluation | Journal of Molecular Structure | 2,024 | 139,270 | 0 | ACT-4,4′-BPY | manuscript | text | 2 | 2:1 | manuscript | text | 2 | Acacetin | manuscript | text | 1 | COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 | manuscript | figure 1 | 2 | 4,4'-Bipyridine | manuscript | text | 2 | c1cc(-c2ccncc2)ccn1 | manuscript | figure 1 | 2 | does not change | manuscript | text | 9 |
Wang2024 | 10.1016/j.molstruc.2024.139270 | 1 | Z. Wang, S. Li, Y. Tao, R. Zheng, S. Yang, D. Yang, S. Wang, L. Zhang, J. Xing, G. Du, Y. Lu | The novel cocrystals of acacetin with 4,4 ?-bipyridine and 2,2-bipyridine: Crystal structures analysis, stability and dissolution evaluation | Journal of Molecular Structure | 2,024 | 139,270 | 0 | ACT-2,2′-BPY | manuscript | text | 2 | 2:1 | manuscript | text | 2 | Acacetin | manuscript | text | 1 | COc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1 | manuscript | figure 1 | 2 | 2,2'-Bipyridine | manuscript | text | 2 | c1ccc(-c2ccccn2)nc1 | manuscript | figure 1 | 2 | does not change | manuscript | text | 9 |
Yutani2019 | 10.3390/cryst9110553 | 0 | Reiko Yutani, Ryotaro Haku, Reiko Teraoka, Chisato Tode, Tatsuo Koide, Shuji Kitagawa, Toshiyasu Sakane, Toshiro Fukami | Comparative Evaluation of the Photostability of Carbamazepine Polymorphs and Cocrystals | Crystals | 2,019 | 553 | 1 | CBZ–SUC | manuscript | text | 1 | 2:1 | manuscript | text | 3 | Carbamazepine | manuscript | text | 1 | NC(=O)N1c2ccccc2C=Cc2ccccc21 | manuscript | figure 1 | 2 | succinic acid | manuscript | text | 2 | O=C(O)CCC(=O)O | manuscript | figure 1 | 2 | increases | manuscript | figure 4 | 7 |
Yutani2019 | 10.3390/cryst9110553 | 0 | Reiko Yutani, Ryotaro Haku, Reiko Teraoka, Chisato Tode, Tatsuo Koide, Shuji Kitagawa, Toshiyasu Sakane, Toshiro Fukami | Comparative Evaluation of the Photostability of Carbamazepine Polymorphs and Cocrystals | Crystals | 2,019 | 553 | 1 | CBZ–SAC Form I | manuscript | text | 1 | 1:1 | manuscript | text | 3 | Carbamazepine | manuscript | text | 1 | NC(=O)N1c2ccccc2C=Cc2ccccc21 | manuscript | figure 1 | 2 | saccharin | manuscript | text | 1 | O=C1NS(=O)(=O)c2ccccc21 | manuscript | figure 1 | 2 | increases | manuscript | figure 4 | 7 |
Yutani2019 | 10.3390/cryst9110553 | 0 | Reiko Yutani, Ryotaro Haku, Reiko Teraoka, Chisato Tode, Tatsuo Koide, Shuji Kitagawa, Toshiyasu Sakane, Toshiro Fukami | Comparative Evaluation of the Photostability of Carbamazepine Polymorphs and Cocrystals | Crystals | 2,019 | 553 | 1 | CBZ–SAC Form II | manuscript | text | 1 | 1:1 | manuscript | text | 3 | Carbamazepine | manuscript | text | 1 | NC(=O)N1c2ccccc2C=Cc2ccccc21 | manuscript | figure 1 | 2 | saccharin | manuscript | text | 1 | O=C1NS(=O)(=O)c2ccccc21 | manuscript | figure 1 | 2 | decrease | manuscript | figure 4 | 7 |
Eesam2020 | 10.1186/s43094-020-00083-5 | 0 | Shivarani Eesam, Jaswanth S. Bhandaru, Chandana Naliganti, Ravi Kumar Bobbala, Raghuram Rao Akkinepally | Solubility enhancement of carvedilol using drug–drug cocrystallization with hydrochlorothiazide | Future Journal of Pharmaceutical Sciences | 2,020 | 1 | 1 | CAR-HCT | manuscript | text | 3 | 2:0.5 | manuscript | text | 3 | carvedilol | manuscript | text | 1 | COc1ccccc1OCCNCC(O)COc1cccc2[nH]c3ccccc3c12 | manuscript | figure 1 | 3 | hydrochlorothiazide | manuscript | text | 1 | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | manuscript | figure 2 | 3 | null | null | null | null |
Ma2021 | 10.1039/d0ce01551b | 1 | Xiaoyu Ma, Bingqing Zhu, Zeen Yang, Yuhang Jianga, Xuefeng Mei | Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring | CrystEngComm | 2,021 | 30 | 0 | Col–BSA | manuscript | text | 2 | 1:1 | supporting information | text | 1 | colchicine | manuscript | text | 1 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 | manuscript | scheme 1 | 1 | benzenesulfonic acid | manuscript | text | 2 | O=S(=O)(O)c1ccccc1 | supporting information | table S1 | 4 | increases | manuscript | figure 3 | 3 |
Ma2021 | 10.1039/d0ce01551b | 1 | Xiaoyu Ma, Bingqing Zhu, Zeen Yang, Yuhang Jianga, Xuefeng Mei | Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring | CrystEngComm | 2,021 | 30 | 0 | Col–PTA | manuscript | text | 2 | 1:1 | supporting information | text | 1 | colchicine | manuscript | text | 1 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 | manuscript | scheme 1 | 1 | p-toluenesulfonic acid | manuscript | text | 2 | Cc1ccc(S(=O)(=O)O)cc1 | supporting information | table S1 | 4 | increases | manuscript | figure 3 | 3 |
Ma2021 | 10.1039/d0ce01551b | 1 | Xiaoyu Ma, Bingqing Zhu, Zeen Yang, Yuhang Jianga, Xuefeng Mei | Stabilizing photo-sensitive colchicine through rebalancing electron distribution of the reactive tropolone ring | CrystEngComm | 2,021 | 30 | 0 | Col–BSA | manuscript | text | 2 | 1:1 | supporting information | text | 1 | colchicine | manuscript | text | 1 | COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1C(NC(C)=O)CC2 | manuscript | scheme 1 | 1 | 2-naphthalenesulfonic acid | manuscript | text | 2 | O=S(=O)(O)c1ccc2ccccc2c1 | supporting information | table S1 | 4 | increases | manuscript | figure 3 | 3 |
Diniz2024 | 10.1021/acs.molpharmaceut.4c00393 | 1 | Luan F. Diniz, Paulo S. Carvalho Jr., Mateus A. C. Souza, Renata Diniz, Christian Fernandes | Highly Soluble Dacarbazine Multicomponent Crystals Less Prone to Photodegradation | Molecular Pharmaceutics | 2,024 | 3,661 | 1 | DTIC-HOXA | manuscript | text | 1 | 1:1 | supporting information | table S4 | 12 | Dacarbazine | manuscript | text | 1 | CN(C)N=Nc1[nH]cnc1C(N)=O | manuscript | scheme 1 | 1 | oxalic acid | manuscript | text | 2 | O=C(O)C(=O)O | manuscript | scheme 1 | 1 | does not change | manuscript | figure 7c | 10 |
Diniz2024 | 10.1021/acs.molpharmaceut.4c00393 | 1 | Luan F. Diniz, Paulo S. Carvalho Jr., Mateus A. C. Souza, Renata Diniz, Christian Fernandes | Highly Soluble Dacarbazine Multicomponent Crystals Less Prone to Photodegradation | Molecular Pharmaceutics | 2,024 | 3,661 | 1 | DTIC-HMAL | manuscript | text | 1 | 1:1 | supporting information | table S4 | 12 | Dacarbazine | manuscript | text | 1 | CN(C)N=Nc1[nH]cnc1C(N)=O | manuscript | scheme 1 | 1 | maleic acid | manuscript | text | 2 | O=C(O)/C=C\C(=O)O | manuscript | scheme 1 | 1 | does not change | manuscript | figure 7c | 10 |
Diniz2024 | 10.1021/acs.molpharmaceut.4c00393 | 1 | Luan F. Diniz, Paulo S. Carvalho Jr., Mateus A. C. Souza, Renata Diniz, Christian Fernandes | Highly Soluble Dacarbazine Multicomponent Crystals Less Prone to Photodegradation | Molecular Pharmaceutics | 2,024 | 3,661 | 1 | DTIC-H2FUM | manuscript | text | 1 | 1:1 | supporting information | table S4 | 12 | Dacarbazine | manuscript | text | 1 | CN(C)N=Nc1[nH]cnc1C(N)=O | manuscript | scheme 1 | 1 | fumaric acid | manuscript | text | 2 | O=C(O)/C=C/C(=O)O | manuscript | scheme 1 | 1 | does not change | manuscript | figure 7c | 10 |
Diniz2024 | 10.1021/acs.molpharmaceut.4c00393 | 1 | Luan F. Diniz, Paulo S. Carvalho Jr., Mateus A. C. Souza, Renata Diniz, Christian Fernandes | Highly Soluble Dacarbazine Multicomponent Crystals Less Prone to Photodegradation | Molecular Pharmaceutics | 2,024 | 3,661 | 1 | DTIC-H2SUС | manuscript | text | 1 | 1:1 | supporting information | table S4 | 12 | Dacarbazine | manuscript | text | 1 | CN(C)N=Nc1[nH]cnc1C(N)=O | manuscript | scheme 1 | 1 | succinic acid | manuscript | text | 2 | O=C(O)CCC(=O)O | manuscript | scheme 1 | 1 | does not change | manuscript | figure 7c | 10 |
Diniz2024 | 10.1021/acs.molpharmaceut.4c00393 | 1 | Luan F. Diniz, Paulo S. Carvalho Jr., Mateus A. C. Souza, Renata Diniz, Christian Fernandes | Highly Soluble Dacarbazine Multicomponent Crystals Less Prone to Photodegradation | Molecular Pharmaceutics | 2,024 | 3,661 | 1 | DTIC-HCIT | manuscript | text | 1 | 2:1 | supporting information | table S4 | 12 | Dacarbazine | manuscript | text | 1 | CN(C)N=Nc1[nH]cnc1C(N)=O | manuscript | scheme 1 | 1 | citric acid | manuscript | text | 2 | O=C(O)CC(O)(CC(=O)O)C(=O)O | manuscript | scheme 1 | 1 | does not change | manuscript | figure 7c | 10 |
Hao2022 | 10.1039/D2CE00597B | 1 | Xinghui Hao,Jinhui Li, Chenguang Wang, Xinghua Zhao, Xin He, Changquan Calvin Sun | Profoundly improved photostability of dimetronidazole by cocrystallization | CrystEngComm | 2,022 | 6,165 | 0 | DMZ-SAC | manuscript | text | 2 | 1:1 | manuscript | text | 1 | Dimetronidazole | manuscript | text | 1 | Cc1ncc([N+](=O)[O-])n1C | manuscript | scheme 1 | 1 | saccharin | manuscript | text | 1 | O=C1NS(=O)(=O)c2ccccc21 | manuscript | scheme 1 | 1 | increases | manuscript | figure 7c | 6 |
Putra2018 | 10.1021/acs.cgd.7b01371 | 1 | Okky Dwichandra Putra, Daiki Umeda, Yuda Prasetya Nugraha, Kazuya Nango, Etsuo Yonemochi, Hidehiro Uekusa | Simultaneous Improvement of Epalrestat Photostability and Solubility via Cocrystallization: A Case Study | Crystal Growth & Design | 2,018 | 373 | 0 | EPR-BET | manuscript | text | 3 | 1:1 | manuscript | text | 2 | Epalrestat | manuscript | text | 1 | CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)O)C1=O | manuscript | chart 1 | 1 | betaine | manuscript | text | 1 | C[N+](C)(C)CC(=O)[O-] | manuscript | chart 1 | 1 | increases | manuscript | text | 6 |
Li2022 | 10.1021/acs.cgd.2c00533 | 1 | Min Li, Jingjing Sun, Wenjie Kuang, Lina Zhou, Dandan Han, Junbo Gong | Drug–Drug Multicomponent Crystals of Epalrestat: A Novel Form of the Drug Combination and Improved Solubility and Photostability of Epalrestat | Crystal Growth & Design | 2,022 | 5,027 | 0 | EP-ED | manuscript | text | 2 | 1:1 | manuscript | text | 4 | Epalrestat | manuscript | text | 1 | CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)O)C1=O | manuscript | scheme 1 | 2 | edaravone | manuscript | text | 1 | CC1=NN(c2ccccc2)C(=O)C1 | manuscript | scheme 1 | 2 | increases | manuscript | text | 5 |
Li2022 | 10.1021/acs.cgd.2c00533 | 1 | Min Li, Jingjing Sun, Wenjie Kuang, Lina Zhou, Dandan Han, Junbo Gong | Drug–Drug Multicomponent Crystals of Epalrestat: A Novel Form of the Drug Combination and Improved Solubility and Photostability of Epalrestat | Crystal Growth & Design | 2,022 | 5,027 | 0 | EP-PR SC MH | manuscript | text | 2 | null | null | null | null | Epalrestat | manuscript | text | 1 | CC(=C\c1ccccc1)/C=C1/SC(=S)N(CC(=O)O)C1=O | manuscript | scheme 1 | 2 | pregabalin | manuscript | text | 1 | CC(C)CC(CN)CC(=O)O | manuscript | scheme 1 | 2 | increases | manuscript | text | 5 |
Sun2025 | 10.1016/j.molstruc.2025.141678 | 1 | Zhong-hua Sun, Zhao Yang, Yan Zhang, Hong Xu, Ru-mei Liu, Da-zhong Ding, Yang Li f, Yun-jie Zhu, Min Li, Ping Leng | Synthesis, characterization, solubility and photostability enhancement of felodipine co-crystals featuring a novel single-crystal structure | Journal of Molecular Structure | 2,025 | 141,678 | 0 | FEL–BPE | manuscript | text | 1 | null | null | null | null | felodipine | manuscript | text | 1 | CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc(Cl)c1Cl | manuscript | figure 1 | 2 | 1,2-bis(4-pyridyl)ethylene | manuscript | text | 1 | c1cc(CCc2ccncc2)ccn1 | manuscript | figure 1 | 2 | increases | manuscript | table 4 | 7 |
Liu2024 | 10.1016/j.ejpb.2024.114464 | 1 | Lixin Liu, Yuning Wang, Jiuyi Sun, Yunan Zhang, Xiangyu Zhang, Lili Wu, Yingli Liu, Xuan Zhang, Yidi Xia, Qiumei Zhang, Ning Gao | Improved photostability, solubility, hygroscopic stability and antimicrobial activity of fleroxacin by synthesis of fleroxacin-D-tartaric acid pharmaceutical salt | European Journal of Pharmaceutics and Biopharmaceutics | 2,024 | 114,464 | 0 | FL-D-TT | manuscript | text | 1 | 1:1 | null | null | null | fleroxacin | manuscript | text | 1 | CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1 | manuscript | scheme 1 | 2 | D-tartaric | manuscript | text | 1 | O=C(O)C(O)C(O)C(=O)O | manuscript | scheme 1 | 2 | increases | manuscript | figure 14 | 8 |
AbrahamMiranda2019 | 10.1021/acs.cgd.8b01556 | 1 | Julieta Abraham Miranda, Claudia Garnero, Ana K. Chattah, Yara Santiago de Oliveira, Alejandro P. Ayala, Marcela R. Longhi | Furosemide:Triethanolamine Salt as a Strategy To Improve the Biopharmaceutical Properties and Photostability of the Drug | Crystal Growth & Design | 2,019 | 2,060 | 0 | FUR:TEA | manuscript | text | 2 | 1:1 | null | null | null | Furosemide | manuscript | text | 1 | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | manuscript | scheme 1 | 1 | triethanolamine | manuscript | text | 2 | OCCN(CCO)CCO | manuscript | scheme 1 | 1 | increases | manuscript | table 2 | 7 |
Teraoka2019 | 10.1248/cpb.c18-00812 | 0 | Reiko Teraoka, Toshiro Fukami, Takayuki Furuishi, Hiromasa Nagase, Haruhisa Ueda, Chisato Tode, Reiko Yutani, Shuji Kitagawa, Toshiyasu Sakane | Improving the Solid-State Photostability of Furosemide by Its Cocrystal Formation | Chemical and Pharmaceutical Bulletin | 2,019 | 940 | 1 | FUR-CAF | manuscript | text | 1 | 1 : 1 | manuscript | text | 1 | Furosemide | manuscript | text | 1 | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | manuscript | chart 1 | 2 | caffeine | manuscript | text | 1 | Cn1c(=O)c2c(ncn2C)n(C)c1=O | manuscript | chart 1 | 2 | increases | manuscript | figure 3 | 4 |
Teraoka2019 | 10.1248/cpb.c18-00812 | 0 | Reiko Teraoka, Toshiro Fukami, Takayuki Furuishi, Hiromasa Nagase, Haruhisa Ueda, Chisato Tode, Reiko Yutani, Shuji Kitagawa, Toshiyasu Sakane | Improving the Solid-State Photostability of Furosemide by Its Cocrystal Formation | Chemical and Pharmaceutical Bulletin | 2,019 | 940 | 1 | FUR-UREA | manuscript | text | 1 | 1 : 1 | manuscript | text | 1 | Furosemide | manuscript | text | 1 | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | manuscript | chart 1 | 2 | urea | manuscript | text | 1 | NC(N)=O | manuscript | chart 1 | 2 | decreases | manuscript | figure 3 | 4 |
Teraoka2019 | 10.1248/cpb.c18-00812 | 0 | Reiko Teraoka, Toshiro Fukami, Takayuki Furuishi, Hiromasa Nagase, Haruhisa Ueda, Chisato Tode, Reiko Yutani, Shuji Kitagawa, Toshiyasu Sakane | Improving the Solid-State Photostability of Furosemide by Its Cocrystal Formation | Chemical and Pharmaceutical Bulletin | 2,019 | 940 | 1 | FUR-NIC | manuscript | text | 1 | 1 : 1 | manuscript | text | 1 | Furosemide | manuscript | text | 1 | NS(=O)(=O)c1cc(C(=O)O)c(NCc2ccco2)cc1Cl | manuscript | chart 1 | 2 | nicotinamide | manuscript | text | 1 | NC(=O)c1cccnc1 | manuscript | chart 1 | 2 | increases | manuscript | figure 3 | 4 |
Shinozaki2019 | 10.1016/j.xphs.2019.02.014 | 0 | Taeko Shinozaki, Makoto Ono, Kenjirou Higashi, Kunikazu Moribe | A Novel Drug-Drug Cocrystal of Levofloxacin and Metacetamol: Reduced Hygroscopicity and Improved Photostability of Levofloxacin | Journal of Pharmaceutical Sciences | 2,019 | 2,383 | 0 | LVFX-AMAP | manuscript | text | 1 | 1:1 | manuscript | text | 1 | Levofloxacin | manuscript | text | 1 | C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | manuscript | figure 1 | 2 | metacetamol | manuscript | text | 1 | CC(=O)Nc1cccc(O)c1 | manuscript | figure 1 | 2 | increases | manuscript | table 1 | 7 |
Nugrahani2023 | 10.3390/pharmaceutics15010124 | 0 | Ilma Nugrahani, Muhammad Ramadhan Sulaiman, Slamet Ibrahim | Stability and Antibiotic Potency Improvement of Levofloxacin by Producing New Salts with 2,6- and 3,5-Dihydroxybenzoic Acid and Their Comprehensive Structural Study | Pharmaceutics | 2,023 | 124 | 1 | LF-26 | manuscript | text | 1 | 1:1 | manuscript | text | 1 | Levofloxacin | manuscript | text | 1 | C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | manuscript | figure 7 | 10 | 2,6-dihydroxybenzoic acid | manuscript | text | 1 | O=C(O)c1c(O)cccc1O | manuscript | figure 7 | 10 | increases | manuscript | figure 11 | 15 |
Nugrahani2023 | 10.3390/pharmaceutics15010124 | 0 | Ilma Nugrahani, Muhammad Ramadhan Sulaiman, Slamet Ibrahim | Stability and Antibiotic Potency Improvement of Levofloxacin by Producing New Salts with 2,6- and 3,5-Dihydroxybenzoic Acid and Their Comprehensive Structural Study | Pharmaceutics | 2,023 | 124 | 1 | LF-35 | manuscript | text | 1 | 1:1 | manuscript | text | 1 | Levofloxacin | manuscript | text | 1 | C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | manuscript | figure 7 | 10 | 3,5-dihydroxybenzoic acid | manuscript | text | 1 | O=C(O)c1cc(O)cc(O)c1 | manuscript | figure 7 | 10 | increases | manuscript | figure 11 | 15 |
Nugrahani2024 | 10.1016/j.heliyon.2024.e33280 | 1 | Ilma Nugrahani, Hidehiro Uekusa, Hironaga Oyama, Agnesya Namira Laksana | New proportion of levofloxacin citrate: Structural, physicochemical properties, and potency studies | Heliyon | 2,024 | null | 1 | LF – CA | manuscript | text | 1 | 2:1 | manuscript | table 1 | 6 | Levofloxacin | manuscript | text | 1 | C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 | null | null | null | citric acid | manuscript | text | 1 | O=C(O)CC(O)(CC(=O)O)C(=O)O | null | null | null | increases | manuscript | figure 11 | 12 |
Xie2024 | 10.3390/molecules29102208 | 0 | Yifei Xie, Lixiang Gong, Yue Tao, Baoxi Zhang, Li Zhang, Shiying Yang, Dezhi Yang, Yang Lu, Guanhua Du | NewCocrystals of Ligustrazine: Enhancing Hygroscopicity and Stability | Molecules | 2,024 | 2,208 | 1 | TMP-PABA | manuscript | text | 1 | 1:2 | manuscript | text | 1 | ligustrazine | manuscript | text | 1 | Cc1nc(C)c(C)nc1C | manuscript | figure 1 | 2 | P-aminobenzoic acid | manuscript | text | 1 | Nc1ccc(C(=O)O)cc1 | manuscript | figure 1 | 2 | increases | manuscript | text | 9 |
Xie2024 | 10.3390/molecules29102208 | 0 | Yifei Xie, Lixiang Gong, Yue Tao, Baoxi Zhang, Li Zhang, Shiying Yang, Dezhi Yang, Yang Lu, Guanhua Du | NewCocrystals of Ligustrazine: Enhancing Hygroscopicity and Stability | Molecules | 2,024 | 2,208 | 1 | TMP-MABA | manuscript | text | 1 | 1.5:1 | manuscript | text | 1 | ligustrazine | manuscript | text | 1 | Cc1nc(C)c(C)nc1C | manuscript | figure 1 | 2 | 3-Aminobenzoic acid | manuscript | text | 1 | Nc1cccc(C(=O)O)c1 | manuscript | figure 1 | 2 | increases | manuscript | text | 9 |
Xie2024 | 10.3390/molecules29102208 | 0 | Yifei Xie, Lixiang Gong, Yue Tao, Baoxi Zhang, Li Zhang, Shiying Yang, Dezhi Yang, Yang Lu, Guanhua Du | NewCocrystals of Ligustrazine: Enhancing Hygroscopicity and Stability | Molecules | 2,024 | 2,208 | 1 | TMP-DNBA | manuscript | text | 1 | 0.5:1 | manuscript | text | 1 | ligustrazine | manuscript | text | 1 | Cc1nc(C)c(C)nc1C | manuscript | figure 1 | 2 | 3,5-Dinitrobenzoic acid | manuscript | text | 1 | O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 | manuscript | figure 1 | 2 | increases | manuscript | text | 9 |
Zheng2024 | 10.1021/acsomega.4c03864 | 1 | Chenxuan Zheng, Hao Wang, Ziyao Xiao, Zhixiong Sun, Junjie Bao, Wenjuan Dai, Qi Zhang, Xuefeng Mei | Cocrystal of Lutein with Improved Stability and Bioavailability | ACS Omega | 2,024 | 36,389 | 1 | PLT-APC | manuscript | text | 2 | 1:1 | manuscript | text | 5 | Lutein | manuscript | text | 1 | CC1=CC(O)CC(C)(C)C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CC(O)CC1(C)C | manuscript | scheme 1 | 1 | adipic acid | manuscript | text | 1 | O=C(O)CCCCC(=O)O | null | null | null | increases | manuscript | figure 5b | 5 |
Zheng2024 | 10.1021/acsomega.4c03864 | 1 | Chenxuan Zheng, Hao Wang, Ziyao Xiao, Zhixiong Sun, Junjie Bao, Wenjuan Dai, Qi Zhang, Xuefeng Mei | Cocrystal of Lutein with Improved Stability and Bioavailability | ACS Omega | 2,024 | 36,389 | 1 | MLT-APC | manuscript | text | 2 | 1:1 | manuscript | text | 5 | Lutein | manuscript | text | 1 | CC1=CC(O)CC(C)(C)C1/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CC(O)CC1(C)C | manuscript | scheme 1 | 1 | adipic acid | manuscript | text | 1 | O=C(O)CCCCC(=O)O | null | null | null | increases | manuscript | figure 5b | 5 |
Kawabata2023 | 10.1016/j.jpap.2023.100172 | 1 | Kohei Kawabata, Ayano Miyoshi, Hiroyuki Nishi | Cocrystallization with nicotinamide promotes naproxen photodegradation in the solid-state | Journal of Photochemistry and Photobiology | 2,023 | 100,172 | 1 | NPX-NA | manuscript | text | 1 | 2:1 | null | null | null | naproxen | manuscript | text | 1 | COc1ccc2cc([C@H](C)C(=O)O)ccc2c1 | manuscript | figure 1 | 2 | nicotinamide | manuscript | text | 1 | NC(=O)c1cccnc1 | manuscript | figure 1 | 2 | decreases | manuscript | text | 6 |
Yu2017 | 10.1039/C7CC06992H | 1 | Qihui Yu, Zhicheng Yan, Junjie Bao, Jian-Rong Wang, Xuefeng Mei | Taming photo-induced oxidation degradation of dihydropyridine drugs through cocrystallization | Chemical Communications | 2,017 | 12,266 | 0 | NFD·INA form I | manuscript | text | 3 | 1:1 | manuscript | text | 3 | nifedipine | manuscript | text | 2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | manuscript | scheme 1 | 3 | isonicotinamide | manuscript | text | 2 | NC(=O)c1ccncc1 | supporting information | scheme s1 | 6 | increases | manuscript | figure 1c | 4 |
Yu2017 | 10.1039/C7CC06992H | 1 | Qihui Yu, Zhicheng Yan, Junjie Bao, Jian-Rong Wang, Xuefeng Mei | Taming photo-induced oxidation degradation of dihydropyridine drugs through cocrystallization | Chemical Communications | 2,017 | 12,266 | 0 | NFD·INA form II | manuscript | text | 3 | 1:1 | manuscript | text | 3 | nifedipine | manuscript | text | 2 | COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1[N+](=O)[O-] | manuscript | scheme 1 | 3 | isonicotinamide | manuscript | text | 2 | NC(=O)c1ccncc1 | supporting information | scheme s1 | 6 | decreases | manuscript | figure 1c | 4 |
Vangala2011 | 10.1039/C0CE00772B | 1 | Venu R. Vangala, Pui Shan Chowa, Reginald B. H. Tan | Characterization, physicochemical and photo-stability of a co-crystal involving an antibiotic drug, nitrofurantoin, and 4-hydroxybenzoic acid | CrystEngComm | 2,011 | 759 | 0 | NF-4HBA | manuscript | text | 2 | 1 : 1 | manuscript | text | 1 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | scheme 1 | 1 | 4-hydroxybenzoic acid | manuscript | text | 1 | O=C(O)c1ccc(O)cc1 | manuscript | scheme 1 | 1 | increases | manuscript | figure 5 | 3 |
Vangala2012 | 10.1021/cg300887p | 1 | Venu R. Vangala, Pui Shan Chow, Reginald B. H. Tan | Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties | Crystal Growth & Design | 2,012 | 5,925 | 0 | NF-3ABA | manuscript | text | 1 | 1:1 | manuscript | text | 5 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | scheme 1 | 2 | 3-aminobenzoic acid | manuscript | text | 1 | Nc1cccc(C(=O)O)c1 | manuscript | scheme 1 | 2 | increases | manuscript | figure 15 | 12 |
Vangala2012 | 10.1021/cg300887p | 1 | Venu R. Vangala, Pui Shan Chow, Reginald B. H. Tan | Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties | Crystal Growth & Design | 2,012 | 5,925 | 0 | NF-4ABA | manuscript | text | 1 | 1:1 | manuscript | text | 5 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | scheme 1 | 2 | 4-aminobenzoic acid | manuscript | text | 1 | Nc1ccc(C(=O)O)cc1 | manuscript | scheme 1 | 2 | increases | manuscript | figure 15 | 12 |
Vangala2012 | 10.1021/cg300887p | 1 | Venu R. Vangala, Pui Shan Chow, Reginald B. H. Tan | Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties | Crystal Growth & Design | 2,012 | 5,925 | 0 | NF-UREA | manuscript | text | 1 | 1:1 | manuscript | text | 6 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | scheme 1 | 2 | urea | manuscript | text | 1 | NC(N)=O | manuscript | scheme 1 | 2 | increases | manuscript | figure 15 | 12 |
Vangala2012 | 10.1021/cg300887p | 1 | Venu R. Vangala, Pui Shan Chow, Reginald B. H. Tan | Co-Crystals and Co-Crystal Hydrates of the Antibiotic Nitrofurantoin: Structural Studies and Physicochemical Properties | Crystal Growth & Design | 2,012 | 5,925 | 0 | NF-4HBAM | manuscript | text | 1 | 1:2 | manuscript | text | 6 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | scheme 1 | 2 | 4-hydroxybenzamide | manuscript | text | 1 | NC(=O)c1ccc(O)cc1 | manuscript | scheme 1 | 2 | increases | manuscript | figure 15 | 12 |
Surov2022 | 10.1021/acs.cgd.2c00044 | 1 | Artem O. Surov, Alexander P. Voronin, Ksenia V. Drozd, Tatyana V. Volkova, Nikita Vasilev, Dmitriy Batov, Andrei V. Churakov, German L. Perlovich | Extending the Range of Nitrofurantoin Solid Forms: Effect of Molecular and Crystal Structure on Formation Thermodynamics and Physicochemical Properties | Crystal Growth & Design | 2,022 | 2,569 | 0 | [NFT-iNA] (1:1) | manuscript | text | 3 | 1:1 | manuscript | text | 2 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | figure 1 | 2 | isonicotinamide | manuscript | text | 1 | NC(=O)c1ccncc1 | manuscript | figure 1 | 2 | increases | supporting inofrmation | figure s11 | 20 |
Surov2022 | 10.1021/acs.cgd.2c00044 | 1 | Artem O. Surov, Alexander P. Voronin, Ksenia V. Drozd, Tatyana V. Volkova, Nikita Vasilev, Dmitriy Batov, Andrei V. Churakov, German L. Perlovich | Extending the Range of Nitrofurantoin Solid Forms: Effect of Molecular and Crystal Structure on Formation Thermodynamics and Physicochemical Properties | Crystal Growth & Design | 2,022 | 2,569 | 0 | [NFT-PicAm](1:1) | manuscript | text | 3 | 1:1 | manuscript | text | 2 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | figure 1 | 2 | picolinamide | manuscript | text | 1 | NC(=O)c1ccccn1 | manuscript | figure 1 | 2 | increases | supporting inofrmation | figure s11 | 20 |
Surov2022 | 10.1021/acs.cgd.2c00044 | 1 | Artem O. Surov, Alexander P. Voronin, Ksenia V. Drozd, Tatyana V. Volkova, Nikita Vasilev, Dmitriy Batov, Andrei V. Churakov, German L. Perlovich | Extending the Range of Nitrofurantoin Solid Forms: Effect of Molecular and Crystal Structure on Formation Thermodynamics and Physicochemical Properties | Crystal Growth & Design | 2,022 | 2,569 | 0 | [NFT-2AmBZA](1:1) | manuscript | text | 2 | 1:1 | manuscript | text | 2 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | figure 1 | 2 | 2-aminobenzamide | manuscript | text | 1 | NC(=O)c1ccccc1N | manuscript | figure 1 | 2 | increases | supporting inofrmation | figure s11 | 20 |
Surov2022 | 10.1021/acs.cgd.2c00044 | 1 | Artem O. Surov, Alexander P. Voronin, Ksenia V. Drozd, Tatyana V. Volkova, Nikita Vasilev, Dmitriy Batov, Andrei V. Churakov, German L. Perlovich | Extending the Range of Nitrofurantoin Solid Forms: Effect of Molecular and Crystal Structure on Formation Thermodynamics and Physicochemical Properties | Crystal Growth & Design | 2,022 | 2,569 | 0 | [NFT-2OHBZA](1:1) | manuscript | text | 3 | 1:1 | manuscript | text | 2 | Nitrofurantoin | manuscript | text | 1 | O=C1CN(/N=C/c2ccc([N+](=O)[O-])o2)C(=O)N1 | manuscript | figure 1 | 2 | 2-hydroxybenzamide | manuscript | text | 1 | NC(=O)c1ccccc1O | manuscript | figure 1 | 2 | increases | supporting inofrmation | figure s11 | 20 |
Li2020 | 10.1002/anie.202009714 | 1 | Shuzhen Li, Bo Lu, Xiaoyu Fang, Dongpeng Yan | Manipulating Light-Induced Dynamic Macro-Movement and Static Photonic Properties within 1D Isostructural Hydrogen-Bonded Molecular Cocrystals | Angewandte Chemie International Edition | 2,020 | 22,623 | 1 | NVP-THA | manuscript | text | 1 | 1:2 | manuscript | text | 1 | 4-(1-naphthylvinyl)pyridine | manuscript | text | 1 | C(=C/c1cccc2ccccc12)\c1ccncc1 | manuscript | figure 1 | 2 | 2,3,5,6-tetrafluorobenzoic acid | manuscript | figure 1 | 2 | O=C(O)c1c(F)c(F)cc(F)c1F | manuscript | figure 1 | 2 | does not change | manuscript | text | 1 |
Cugovčan2017 | 10.1016/j.jpba.2017.01.025 | 1 | Martina Cugovčan, Jasna Jablan, Jasmina Lovrić, Dominik Cinčić, Nives Galić, Mario Jug | Biopharmaceutical characterization of praziquantel cocrystals and cyclodextrin complexes prepared by grinding | Journal of Pharmaceutical and Biomedical Analysis | 2,017 | 42 | 1 | PZQ/MA | manuscript | text | 4 | 1:1 | manuscript | table 1 | 4 | praziquantel | manuscript | text | 1 | O=C(C1CCCCC1)N1CC(=O)N2CCc3ccccc3C2C1 | null | null | null | malic acid | manuscript | text | 2 | O=C(O)CC(O)C(=O)O | null | null | null | decreases | manuscript | figure 5b | 9 |
Ambrogi2014 | 10.1021/la5033898 | 0 | Valeria Ambrogi, Morena Nocchetti, Loredana Latterini | Promethazine–Montmorillonite Inclusion Complex To Enhance Drug Photostability | Langmuir | 2,014 | 14,612 | 0 | MONT-PRO | manuscript | text | 1 | null | null | null | null | Promethazine | manuscript | text | 1 | CC(CN1c2ccccc2Sc2ccccc21)N(C)C | manuscript | figure 1 | 1 | Montmorillonite | null | null | null | null | null | null | null | does not change | manuscript | figure 10 | 7 |
Qu2024 | 10.1016/j.cej.2024.151902 | 1 | Haibin Qu, Ye Gao, Lina Zhou, Songgu Wu, Junbo Gong | Construction of fungicide nano delivery platform through crystal engineering for sustainable fungal control | Chemical Engineering Journal | 2,024 | 151,902 | 1 | PYR-FMA | manuscript | text | 3 | 1:2 | supporting information | text | 3 | pyrimethanil | manuscript | text | 1 | Cc1cc(C)nc(Nc2ccccc2)n1 | manuscript | figure 1 | 3 | fumaric acid | manuscript | text | 2 | O=C(O)/C=C/C(=O)O | manuscript | figure 1 | 3 | increases | manuscript | figure 7b | 9 |
Qu2024 | 10.1016/j.cej.2024.151902 | 1 | Haibin Qu, Ye Gao, Lina Zhou, Songgu Wu, Junbo Gong | Construction of fungicide nano delivery platform through crystal engineering for sustainable fungal control | Chemical Engineering Journal | 2,024 | 151,902 | 1 | PYR-3IA | manuscript | text | 3 | 1:1 | supporting information | text | 3 | pyrimethanil | manuscript | text | 1 | Cc1cc(C)nc(Nc2ccccc2)n1 | manuscript | figure 1 | 3 | indole-3-acetic acid | manuscript | text | 2 | O=C(O)Cc1c[nH]c2ccccc12 | manuscript | figure 1 | 3 | increases | manuscript | figure 7b | 9 |
Dhakar2019 | 10.3390/pharmaceutics11100545 | 0 | Nilesh Kumar Dhakar, Adrián Matencio,Fabrizio Caldera, Monica Argenziano, Roberta Cavalli, Chiara Dianzani, Marco Zanetti, José Manuel López-Nicolás, Francesco Trotta | Comparative Evaluation of Solubility, Cytotoxicity and Photostability Studies of Resveratrol and Oxyresveratrol Loaded Nanosponge | Pharmaceutics | 2,019 | 545 | 1 | RES-NS | manuscript | text | 6 | null | null | null | null | resveratrol | manuscript | text | 1 | Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1 | manuscript | figure 1 | 2 | nanosponge | manuscript | text | 1 | null | null | null | null | increases | manuscript | figure 9a | 10 |
Dhakar2019 | 10.3390/pharmaceutics11100545 | 0 | Nilesh Kumar Dhakar, Adrián Matencio,Fabrizio Caldera, Monica Argenziano, Roberta Cavalli, Chiara Dianzani, Marco Zanetti, José Manuel López-Nicolás, Francesco Trotta | Comparative Evaluation of Solubility, Cytotoxicity and Photostability Studies of Resveratrol and Oxyresveratrol Loaded Nanosponge | Pharmaceutics | 2,019 | 545 | 1 | OXY-NS | manuscript | text | 6 | null | null | null | null | oxyresveratrol | manuscript | text | 1 | Oc1cc(O)cc(C=Cc2ccc(O)cc2O)c1 | manuscript | figure 1 | 2 | nanosponge | manuscript | text | 1 | null | null | null | null | increases | manuscript | figure 9b | 10 |
Muthaiyan2024 | 10.1021/acs.cgd.4c00855 | 1 | Muthukumari Muthaiyan, Fayaz T. K. S, Gowtham Kenguva, Aditya Kumar Prajapati, Rambabu Dandela, Vladimir V. Chernyshev, Palash Sanphui | New Multicomponent Solid Forms of the Antitumor Drug Ripretinib: The Role of Conformations in Dictating Dissolution and Photostability | Crystal Growth & Design | 2,024 | 7,617 | 0 | RIP-HCl | manuscript | text | 2 | 1:1 | manuscript | text | 5 | Ripretinib | manuscript | text | 1 | CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21 | manuscript | figure 1 | 2 | HCl | manuscript | text | 2 | Cl | manuscript | figure 1 | 2 | increases | manuscript | figure 10 | 12 |
Muthaiyan2024 | 10.1021/acs.cgd.4c00855 | 1 | Muthukumari Muthaiyan, Fayaz T. K. S, Gowtham Kenguva, Aditya Kumar Prajapati, Rambabu Dandela, Vladimir V. Chernyshev, Palash Sanphui | New Multicomponent Solid Forms of the Antitumor Drug Ripretinib: The Role of Conformations in Dictating Dissolution and Photostability | Crystal Growth & Design | 2,024 | 7,617 | 0 | RIP-FOR | manuscript | text | 3 | 1:2 | manuscript | text | 7 | Ripretinib | manuscript | text | 1 | CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21 | manuscript | figure 1 | 2 | formic acid | manuscript | text | 3 | O=CO | manuscript | figure 1 | 2 | increases | manuscript | figure 10 | 12 |
Muthaiyan2024 | 10.1021/acs.cgd.4c00855 | 1 | Muthukumari Muthaiyan, Fayaz T. K. S, Gowtham Kenguva, Aditya Kumar Prajapati, Rambabu Dandela, Vladimir V. Chernyshev, Palash Sanphui | New Multicomponent Solid Forms of the Antitumor Drug Ripretinib: The Role of Conformations in Dictating Dissolution and Photostability | Crystal Growth & Design | 2,024 | 7,617 | 0 | RIP-AA | manuscript | text | 3 | 1:1 | manuscript | text | 7 | Ripretinib | manuscript | text | 1 | CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21 | manuscript | figure 1 | 2 | acetic acid | manuscript | text | 3 | CC(=O)O | manuscript | figure 1 | 2 | increases | manuscript | figure 10 | 12 |
Muthaiyan2024 | 10.1021/acs.cgd.4c00855 | 1 | Muthukumari Muthaiyan, Fayaz T. K. S, Gowtham Kenguva, Aditya Kumar Prajapati, Rambabu Dandela, Vladimir V. Chernyshev, Palash Sanphui | New Multicomponent Solid Forms of the Antitumor Drug Ripretinib: The Role of Conformations in Dictating Dissolution and Photostability | Crystal Growth & Design | 2,024 | 7,617 | 0 | RIP-DHBA | manuscript | text | 3 | 1:1 | null | null | null | Ripretinib | manuscript | text | 1 | CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21 | manuscript | figure 1 | 2 | 2,6-dihydroxybenzoic acid | manuscript | text | 4 | O=C(O)c1c(O)cccc1O | manuscript | figure 1 | 2 | increases | manuscript | figure 10 | 12 |
Muthaiyan2024 | 10.1021/acs.cgd.4c00855 | 1 | Muthukumari Muthaiyan, Fayaz T. K. S, Gowtham Kenguva, Aditya Kumar Prajapati, Rambabu Dandela, Vladimir V. Chernyshev, Palash Sanphui | New Multicomponent Solid Forms of the Antitumor Drug Ripretinib: The Role of Conformations in Dictating Dissolution and Photostability | Crystal Growth & Design | 2,024 | 7,617 | 0 | RIP-FER | manuscript | text | 3 | 1:1 | manuscript | text | 9 | Ripretinib | manuscript | text | 1 | CCn1c(=O)c(-c2cc(NC(=O)Nc3ccccc3)c(F)cc2Br)cc2cnc(NC)cc21 | manuscript | figure 1 | 2 | ferulic acid | manuscript | text | 3 | COc1cc(/C=C/C(=O)O)ccc1O | manuscript | figure 1 | 2 | increases | manuscript | figure 10 | 12 |
Muthusamy2024 | 10.1016/j.xphs.2023.10.024 | 1 | Anantha Rajmohan Muthusamy, Amit Singha, Meenakshi Sundaram Soma Sundarama, Yogesh Wagha, Alexandr Jegorovb, Arvind Kumar Jain | In-Silico Aided Screening and Characterization Results in Stability Enhanced Novel Roxadustat Co-Crystal | Journal of Pharmaceutical Sciences | 2,024 | 1,190 | 0 | RXD-NA | manuscript | text | 1 | 1:1 | manuscript | text | 8 | Roxadustat | manuscript | text | 1 | Cc1nc(C(=O)NCC(=O)O)c(O)c2ccc(Oc3ccccc3)cc12 | manuscript | figure 1 | 3 | nicotinamide | manuscript | text | 1 | NC(=O)c1cccnc1 | manuscript | figure 1 | 3 | increases | manuscript | table 6 | 10 |
Kalle2024 | 10.1021/acs.cgd.4c01197 | 1 | Paulina Kalle, Stanislav I. Bezzubov, Lyudmila G. Kuzmina, Andrei V. Churakov | New Insights into the Structure, Thermal Properties, and Photostability of Industrially Relevant Salts of Sorbic Acid | Crystal Growth & Design | 2,024 | 9,173 | 0 | NaSorb | manuscript | text | 2 | null | null | null | null | Sorbic Acid | manuscript | text | 1 | C/C=C/C=C/C(=O)O | null | null | null | sodium | manuscript | text | 2 | null | null | null | null | does not change | supporting information | figure s2 | 6 |
Kalle2024 | 10.1021/acs.cgd.4c01197 | 1 | Paulina Kalle, Stanislav I. Bezzubov, Lyudmila G. Kuzmina, Andrei V. Churakov | New Insights into the Structure, Thermal Properties, and Photostability of Industrially Relevant Salts of Sorbic Acid | Crystal Growth & Design | 2,024 | 9,173 | 0 | KSorb | manuscript | text | 2 | null | null | null | null | Sorbic Acid | manuscript | text | 1 | C/C=C/C=C/C(=O)O | null | null | null | Potassium | manuscript | text | 2 | null | null | null | null | decreases | supporting information | figure s3 | 7 |
Kalle2024 | 10.1021/acs.cgd.4c01197 | 1 | Paulina Kalle, Stanislav I. Bezzubov, Lyudmila G. Kuzmina, Andrei V. Churakov | New Insights into the Structure, Thermal Properties, and Photostability of Industrially Relevant Salts of Sorbic Acid | Crystal Growth & Design | 2,024 | 9,173 | 0 | CaSorb | manuscript | text | 2 | null | null | null | null | Sorbic Acid | manuscript | text | 1 | C/C=C/C=C/C(=O)O | null | null | null | calcium | manuscript | text | 2 | null | null | null | null | does not change | supporting information | figure s4 | 7 |
Kalle2024 | 10.1021/acs.cgd.4c01197 | 1 | Paulina Kalle, Stanislav I. Bezzubov, Lyudmila G. Kuzmina, Andrei V. Churakov | New Insights into the Structure, Thermal Properties, and Photostability of Industrially Relevant Salts of Sorbic Acid | Crystal Growth & Design | 2,024 | 9,173 | 0 | NH4Sorb·HSorb | manuscript | text | 2 | null | null | null | null | Sorbic Acid | manuscript | text | 1 | C/C=C/C=C/C(=O)O | null | null | null | Ammonium | manuscript | text | 2 | [NH4+] | manuscript | text | 2 | decreases | supporting information | figure s5 | 8 |
Geng2013 | 10.1021/cg400518w | 1 | Na Geng, Jia-Mei Chen, Zi-Jian Li, Long Jiang, Tong-Bu Lu | Approach of cocrystallization to improve the solubility and photostability of tranilast | Crystal Growth & Design | 2,013 | 3,546 | 0 | 1 | manuscript | text | 3 | 1:1 | manuscript | text | 3 | Tranilast | manuscript | text | 1 | COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC | manuscript | figure 1 | 2 | Urea | manuscript | text | 1 | NC(N)=O | manuscript | figure 1 | 2 | increases | manuscript | figure 8 | 7 |
Geng2013 | 10.1021/cg400518w | 1 | Na Geng, Jia-Mei Chen, Zi-Jian Li, Long Jiang, Tong-Bu Lu | Approach of cocrystallization to improve the solubility and photostability of tranilast | Crystal Growth & Design | 2,013 | 3,546 | 0 | 2 | manuscript | text | 3 | 1:1 | manuscript | text | 3 | Tranilast | manuscript | text | 1 | COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC | manuscript | figure 1 | 2 | Nicotinamide | manuscript | text | 1 | NC(=O)c1cccnc1 | manuscript | figure 1 | 2 | increases | manuscript | figure 8 | 7 |
Geng2013 | 10.1021/cg400518w | 1 | Na Geng, Jia-Mei Chen, Zi-Jian Li, Long Jiang, Tong-Bu Lu | Approach of cocrystallization to improve the solubility and photostability of tranilast | Crystal Growth & Design | 2,013 | 3,546 | 0 | 3 | manuscript | text | 3 | 1:1 | manuscript | text | 3 | Tranilast | manuscript | text | 1 | COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC | manuscript | figure 1 | 2 | Cytosine | manuscript | text | 1 | Nc1cc[nH]c(=O)n1 | manuscript | figure 1 | 2 | increases | manuscript | figure 8 | 7 |
Geng2013 | 10.1021/cg400518w | 1 | Na Geng, Jia-Mei Chen, Zi-Jian Li, Long Jiang, Tong-Bu Lu | Approach of cocrystallization to improve the solubility and photostability of tranilast | Crystal Growth & Design | 2,013 | 3,546 | 0 | 4 | manuscript | text | 3 | null | null | null | null | Tranilast | manuscript | text | 1 | COc1ccc(C=CC(=O)Nc2ccccc2C(=O)O)cc1OC | manuscript | figure 1 | 2 | Sodium | manuscript | text | 1 | null | null | null | null | increases | manuscript | figure 8 | 7 |
bofill2021 | 10.1021/acs.cgd.0c01709 | 1 | Lídia Bofill, Dafne de Sande, Rafael Barbas, Rafel Prohens | A New and Highly Stable Cocrystal of Vitamin D3 for Use in Enhanced Food Supplements | Crystal Growth & Design | 2,021 | 1,418 | 0 | Vitamin D3−Resorcinol cocrystal | manuscript | text | 2 | 1:1 | supporting information | text | 2 | cholecalciferol | manuscript | text | 1 | C=C1CC[C@H](O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12 | manuscript | figure 1 | 3 | resorcinol | manuscript | text | 1 | Oc1cccc(O)c1 | manuscript | figure 1 | 3 | increases | manuscript | figure 3 | 4 |
zhu2016 | 10.1021/acs.cgd.5b01491 | 1 | Bingqing Zhu, Jian-Rong Wang, Qi Zhang, Xuefeng Mei | Improving Dissolution and Photostability of Vitamin K3 via Cocrystallization with Naphthoic Acids and Sulfamerazine | Crystal Growth & Design | 2,015 | 483 | 0 | MD·1-HNA | manuscript | text | 4 | null | null | null | null | Menadione | manuscript | text | 1 | CC1=CC(=O)c2ccccc2C1=O | manuscript | scheme 1 | 1 | 1-Hydroxy-2-naphthoic Acid | manuscript | text | 2 | O=C(O)c1ccc2ccccc2c1O | manuscript | scheme 2 | 2 | increases | manuscript | figure 12 | 9 |
zhu2016 | 10.1021/acs.cgd.5b01491 | 1 | Bingqing Zhu, Jian-Rong Wang, Qi Zhang, Xuefeng Mei | Improving Dissolution and Photostability of Vitamin K3 via Cocrystallization with Naphthoic Acids and Sulfamerazine | Crystal Growth & Design | 2,015 | 483 | 0 | MD·6-HNA | manuscript | text | 4 | null | null | null | null | Menadione | manuscript | text | 1 | CC1=CC(=O)c2ccccc2C1=O | manuscript | scheme 1 | 1 | 6-Hydroxy-2-naphthoic Acid | manuscript | text | 2 | O=C(O)c1ccc2cc(O)ccc2c1 | manuscript | scheme 2 | 2 | increases | supporting information | figure S8a | 11 |
zhu2016 | 10.1021/acs.cgd.5b01491 | 1 | Bingqing Zhu, Jian-Rong Wang, Qi Zhang, Xuefeng Mei | Improving Dissolution and Photostability of Vitamin K3 via Cocrystallization with Naphthoic Acids and Sulfamerazine | Crystal Growth & Design | 2,015 | 483 | 0 | MD·Sul | manuscript | text | 4 | null | null | null | null | Menadione | manuscript | text | 1 | CC1=CC(=O)c2ccccc2C1=O | manuscript | scheme 1 | 1 | Sulfamerazine | manuscript | text | 2 | Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 | manuscript | scheme 2 | 2 | increases | supporting information | figure S8b | 11 |
Information about the dataset is detailed in the documentation:
https://ai-chem.github.io/ChemX/overview/datasets_description.html
You can find the Croissant file in our GitHub repository:
https://github.com/ai-chem/ChemX/tree/main/datasets/croissants