id stringlengths 2 7 | problem stringlengths 95 460 | solution stringclasses 2
values | problem_type stringclasses 1
value | group stringclasses 1
value |
|---|---|---|---|---|
4975162 | In the BSK_hDFCGF_CollagenIII_down BioSeek primary-cell biomarker panel, does the molecule COc1ccc(C(=O)/C(Br)=C\C(=O)[O-])cc1.[Na+] show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
130577 | Given a compound's SMILES string, does CN1CCN(C2Cc3ccccc3Sc3ccc(Cl)cc32)CC1.O=C(O)/C=C\C(=O)O produce a positive toxicity call in the TOX21_GR_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2613607 | In the OT_AR_ARELUC_AG_1440 OregonTox receptor–co-activator assay, does the molecule C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-].[Na+].[Na+] show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4460526 | Given a candidate compound's SMILES string, is the compound CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-] toxic in the BSK_BE3C_TGFb1_down assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3431705 | Given a candidate compound's SMILES string, is the compound CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 toxic in the TOX21_ERa_LUC_BG1_Antagonist assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3168096 | In the ATG_EGR_CIS_up Attagene reporter-gene assay, does the molecule CNC(=O)Oc1cc(C)c(SC)c(C)c1 show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3849256 | In the ATG_HIF1a_CIS_up Attagene reporter-gene assay, does the molecule C=CC(N)=O show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1702620 | Given a candidate compound's SMILES string, is the compound CN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 toxic in the ATG_SREBP_CIS_up assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3686388 | Is CCCCCCCCCC(=O)OCC, given as a SMILES string, classified as toxic in the BSK_3C_Vis_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4458079 | In the NVS_ENZ_hTrkA Novascreen enzyme-inhibition assay, does the molecule O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3549461 | Given a compound's SMILES string, does c1ccc(CCCc2ccncc2)cc1 produce a positive toxicity call in the ATG_AP_2_CIS_dn Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4014918 | In the ATG_PPARa_TRANS_up Attagene reporter-gene assay, does the molecule CCCCC/C=C\C/C=C\CCCCCCCC(=O)O show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3521134 | Does the compound CCCCNC(=O)OCC#CI result in a positive toxicity outcome in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2080952 | In the TOX21_ESRE_BLA_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule Nc1nc(N)c(N)c(N)n1.O=S(=O)(O)O show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3268776 | Given a compound's SMILES string, does CC(C)Cc1ccc(C(C)C(=O)O)cc1 produce a positive toxicity call in the BSK_hDFCGF_CollagenIII_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4684428 | Given a compound's SMILES string, does CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.[Na+] produce a positive toxicity call in the ATG_TAL_CIS_up Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4802394 | Is CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[Cl-], given as a SMILES string, classified as toxic in the NVS_IC_rCaBTZCHL Novascreen ion-channel binding assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1163929 | Does the compound Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2 result in a positive toxicity outcome in the TOX21_ARE_BLA_Agonist_ch1 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5210469 | Does the compound CNC(=O)Oc1cc(C)c(SC)c(C)c1 result in a positive toxicity outcome in the ATG_Ets_CIS_dn Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4347045 | Given a candidate compound's SMILES string, is the compound C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1 toxic in the TOX21_p53_BLA_p1_ch2 assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2923978 | In the BSK_CASM3C_SAA_down BioSeek primary-cell biomarker panel, does the molecule COc1cc(-c2nc(NC(=O)c3cc4cc(C)cc(C)c4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl.O=C(O)C(F)(F)F show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3407459 | Does the compound CCCCCCCCCCCC[N+](C)(C)C.[Cl-] result in a positive toxicity outcome in the NVS_GPCR_hM3 Novascreen GPCR binding assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4771233 | Is C[C@]12CCC(=O)C(O)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12, given as a SMILES string, classified as toxic in the TOX21_ERa_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3773835 | Given a compound's SMILES string, does CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C produce a positive toxicity call in the APR_HepG2_p53Act_24h_up APR high-content imaging assay (HepG2 cells)? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3114998 | Given a compound's SMILES string, does CCCCCCCCC(CCCCCC)C(=O)O produce a positive toxicity call in the TOX21_PPARg_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3052842 | Is CCCCCCCCCCCC(=O)NCCCN(C)C, given as a SMILES string, classified as toxic in the TOX21_GR_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
804534 | In the TOX21_TR_LUC_GH3_Antagonist NIH/EPA Tox21 reporter-gene assay, does the molecule N#Cc1sc2c(=O)c3ccccc3c(=O)c=2sc1C#N show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
253538 | Given a compound's SMILES string, does Cc1ccc2nc3sc(=O)sc3nc2c1 produce a positive toxicity call in the ATG_CAR_TRANS_up Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1199963 | In the TOX21_ESRE_BLA_viability NIH/EPA Tox21 reporter-gene assay, does the molecule CC(C)(C)CC(C)(C)c1ccc(OCCOCC[N+](C)(C)Cc2ccccc2)cc1.[Cl-] show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4264442 | Given a candidate compound's SMILES string, is the compound CCCCC/C=C\C=C\C(=O)OCC toxic in the TOX21_p53_BLA_p5_viability assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1688860 | In the OT_ERa_EREGFP_0480 OregonTox receptor–co-activator assay, does the molecule [O-][n+]1ccccc1S[Zn]Sc1cccc[n+]1[O-] show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1574191 | Given a compound's SMILES string, does O=[N+]([O-])C=Cc1ccccc1 produce a positive toxicity call in the BSK_3C_Eselectin_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1108306 | In the BSK_3C_Eselectin_down BioSeek primary-cell biomarker panel, does the molecule OC(Cc1ccccc1Cl)(Cn1[nH]cnc1=S)C1(Cl)CC1 show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2395178 | Given a compound's SMILES string, does Cc1ccc(-c2c(Cl)nc(C#N)n2S(=O)(=O)N(C)C)cc1 produce a positive toxicity call in the BSK_SAg_Eselectin_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5464510 | Given a compound's SMILES string, does CC(C)(C)OOC(=O)c1ccccc1 produce a positive toxicity call in the APR_HepG2_MitoMass_24h_dn APR high-content imaging assay (HepG2 cells)? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5040528 | Given a candidate compound's SMILES string, is the compound CC(C)(C)C(=O)C=Cc1ccc(Cl)cc1 toxic in the TOX21_Aromatase_Inhibition assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
916309 | Is O=[N+]([O-])C(Br)(CO)CO, given as a SMILES string, classified as toxic in the BSK_KF3CT_ICAM1_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3969893 | Given a compound's SMILES string, does Oc1cc(Cl)c(Cl)cc1Cl produce a positive toxicity call in the BSK_4H_VEGFRII_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
511044 | Given a candidate compound's SMILES string, is the compound CC(Cl)COP(=O)(OCC(C)Cl)OCC(C)Cl toxic in the ATG_VDRE_CIS_up assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2188624 | In the BSK_SAg_CD69_down BioSeek primary-cell biomarker panel, does the molecule CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1 show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1492787 | Is CCOP(=S)(OCC)SCSP(=S)(OCC)OCC, given as a SMILES string, classified as toxic in the TOX21_ERa_LUC_BG1_Agonist NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4580166 | Given a compound's SMILES string, does Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl produce a positive toxicity call in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1931399 | Is O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21, given as a SMILES string, classified as toxic in the ATG_FXR_TRANS_up Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1098158 | Given a candidate compound's SMILES string, is the compound CC(C)(C)CC(C)(C)c1ccc(O)c(-n2nc3ccccc3n2)c1 toxic in the APR_HepG2_CellCycleArrest_24h_dn assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
455962 | Given a candidate compound's SMILES string, is the compound CCc1cc(Cc2cc(CC)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1 toxic in the TOX21_GR_BLA_Agonist_ch1 assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5254757 | Given a candidate compound's SMILES string, is the compound CO[C@@H]1[C@H](OC(=O)NC(=O)CCl)CC[C@]2(CO2)[C@H]1[C@@]1(C)O[C@@H]1CC=C(C)C toxic in the BSK_LPS_PGE2_down assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2870236 | Does the compound CCCCC/C=C\C=C\C(=O)OCC result in a positive toxicity outcome in the ATG_IR1_CIS_dn Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1081391 | Given a compound's SMILES string, does CCCCCCCCCCCCOS(=O)(=O)[O-].[Na+] produce a positive toxicity call in the NVS_NR_hPPARa Novascreen nuclear-receptor binding assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1613551 | Is C#CCC1=C(C)C(OC(=O)C2C(C=C(C)C)C2(C)C)CC1=O, given as a SMILES string, classified as toxic in the ATG_MRE_CIS_up Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4500179 | Is N#CSCSC#N, given as a SMILES string, classified as toxic in the TOX21_MMP_viability NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3482553 | Given a compound's SMILES string, does COC(=O)[C@H]1[C@H]2C[C@@H]3c4[nH]c5cc(OC)ccc5c4CCN3C[C@H]2C[C@@H](OC(=O)c2cc(OC)c(OC)c(OC)c2)[C@@H]1OC produce a positive toxicity call in the ATG_SREBP_CIS_up Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
957614 | Given a candidate compound's SMILES string, is the compound CC(C)CC(C)(c1ccc(O)cc1)c1ccc(O)cc1 toxic in the TOX21_p53_BLA_p1_ratio assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
13912 | Given a compound's SMILES string, does Cc1cccc(C)c1Nc1ncccc1C(=O)O produce a positive toxicity call in the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3026511 | Is CC(=O)O.CC(=O)O.N=C(NCCCCCCNC(=N)NC(=N)Nc1ccc(Cl)cc1)NC(=N)Nc1ccc(Cl)cc1, given as a SMILES string, classified as toxic in the TOX21_NFkB_BLA_agonist_ch1 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3683506 | Does the compound Oc1ccc(Cl)cc1Cc1ccccc1 result in a positive toxicity outcome in the NVS_TR_hNET Novascreen transporter binding assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5098884 | In the TOX21_PPARd_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule CN1CCN(CCCN2c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1.CS(=O)(=O)O.CS(=O)(=O)O show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3648944 | Does the compound COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OC(C)C result in a positive toxicity outcome in the BSK_KF3CT_TIMP2_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3551243 | Does the compound O=C(O)c1cc(O)c2c(c1)O[Bi](O)O2 result in a positive toxicity outcome in the TOX21_AR_BLA_Agonist_ch2 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4769711 | Given a compound's SMILES string, does Nc1ccc2c3c(cccc13)-c1ccccc1-2 produce a positive toxicity call in the TOX21_NFkB_BLA_agonist_ch2 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2049445 | Is O=C(O)c1cccc(Oc2ccccc2)c1, given as a SMILES string, classified as toxic in the NVS_GPCR_gLTB4 Novascreen GPCR binding assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4686352 | Is CC(C)(c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(O)c(Br)c1, given as a SMILES string, classified as toxic in the BSK_hDFCGF_MIG_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
330826 | Given a candidate compound's SMILES string, is the compound CC(C)Oc1cc(-n2nc(C(C)(C)C)oc2=O)c(Cl)cc1Cl toxic in the BSK_SAg_Proliferation_down assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1828405 | Does the compound CCCCNC(=O)OCC#CI result in a positive toxicity outcome in the BSK_4H_MCP1_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5266764 | Given a compound's SMILES string, does O=C(CCl)Nc1ccccc1 produce a positive toxicity call in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1022393 | Given a candidate compound's SMILES string, is the compound Cl.Clc1ccc(C(OCCN2CCCCC2)c2ccccc2)cc1 toxic in the TOX21_NFkB_BLA_agonist_ch2 assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3484702 | Does the compound CCCCCNCCCCC result in a positive toxicity outcome in the ATG_PXRE_CIS_up Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2252430 | Is CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1.Cl, given as a SMILES string, classified as toxic in the BSK_LPS_VCAM1_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1186558 | Given a candidate compound's SMILES string, is the compound CC(C)OP(=S)(OC(C)C)SCCNS(=O)(=O)c1ccccc1 toxic in the APR_Hepat_DNADamage_48hr_up assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1638053 | Given a compound's SMILES string, does CN(C)C(=O)NC1(c2ccccc2)CCN(CCC[C@@]2(c3ccc(Cl)c(Cl)c3)CCCN(C(=O)c3ccccc3)C2)CC1 produce a positive toxicity call in the TOX21_FXR_BLA_Antagonist_ch1 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2266082 | Given a compound's SMILES string, does CCC(C)(C)c1cc(O)c(C(C)(C)CC)cc1O produce a positive toxicity call in the ATG_Sp1_CIS_up Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2786749 | Given a candidate compound's SMILES string, is the compound CSc1nc2cc(Cl)c(Oc3cccc(Cl)c3Cl)cc2[nH]1 toxic in the TOX21_AR_BLA_Antagonist_ratio assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1472870 | In the TOX21_p53_BLA_p4_ch1 NIH/EPA Tox21 reporter-gene assay, does the molecule CN1C2CCC1CC(OC(c1ccccc1)c1ccc(Cl)cc1)C2 show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2024036 | Given a candidate compound's SMILES string, is the compound CCOC(=O)C1(c2ccccc2)CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.Cl toxic in the TOX21_AR_BLA_Agonist_ch2 assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5456931 | Given a candidate compound's SMILES string, is the compound CCS(=O)(=O)c1cccnc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1 toxic in the ATG_CMV_CIS_up assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4659799 | Does the compound OB(O)O[Hg]c1ccccc1 result in a positive toxicity outcome in the TOX21_p53_BLA_p3_ch2 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4647816 | Given a compound's SMILES string, does O=C(c1ccccc1)c1ccc(O)cc1 produce a positive toxicity call in the TOX21_FXR_BLA_antagonist_ratio NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
506331 | Given a compound's SMILES string, does CC[N+](CC)(CC)Cc1ccccc1.[Cl-] produce a positive toxicity call in the BSK_CASM3C_SRB_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4201980 | In the BSK_hDFCGF_IL8_down BioSeek primary-cell biomarker panel, does the molecule CC(C)(C)c1ccc(O)c(C(C)(C)C)c1 show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3467260 | In the TOX21_p53_BLA_p2_ratio NIH/EPA Tox21 reporter-gene assay, does the molecule Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1 show toxic activity? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
193330 | Does the compound CCCN(CCC)c1c([N+](=O)[O-])cc(S(N)(=O)=O)cc1[N+](=O)[O-] result in a positive toxicity outcome in the BSK_hDFCGF_EGFR_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1710569 | Does the compound CCCN(CCC)c1c([N+](=O)[O-])cc(C(F)(F)F)c(N)c1[N+](=O)[O-] result in a positive toxicity outcome in the TOX21_ERa_BLA_Antagonist_ch2 NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4265739 | Is C[C@]12CC[C@H]3C(=CCc4cc(O)ccc43)[C@@H]1CCC2=O, given as a SMILES string, classified as toxic in the TOX21_AR_BLA_Antagonist_ratio NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5478214 | Does the compound O=C(O)c1cc(O)c(O)c(O)c1 result in a positive toxicity outcome in the TOX21_Aromatase_Inhibition NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5455476 | Given a candidate compound's SMILES string, is the compound CCN1C(=CC=Cc2sc3ccccc3[n+]2CC)Sc2ccccc21.[I-] toxic in the TOX21_FXR_BLA_antagonist_ratio assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3400887 | Does the compound CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C result in a positive toxicity outcome in the NVS_NR_hGR Novascreen nuclear-receptor binding assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
1555666 | Given a compound's SMILES string, does O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F produce a positive toxicity call in the ATG_PXR_TRANS_up Attagene reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5298957 | Does the compound CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1 result in a positive toxicity outcome in the BSK_hDFCGF_CollagenIII_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
5406543 | Given a compound's SMILES string, does CCCCCCCCCCCCCCCC[N+](C)(C)CC.[Br-] produce a positive toxicity call in the TOX21_AR_BLA_Agonist_ratio NIH/EPA Tox21 reporter-gene assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
2255473 | Given a compound's SMILES string, does O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F produce a positive toxicity call in the NVS_GPCR_h5HT7 Novascreen GPCR binding assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
4085878 | Does the compound N#CSCSc1nc2ccccc2s1 result in a positive toxicity outcome in the BSK_SAg_MIG_down BioSeek primary-cell biomarker panel? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
3044198 | Given a candidate compound's SMILES string, is the compound O=C1c2c(O)ccc([N+](=O)[O-])c2C(=O)c2c([N+](=O)[O-])ccc(O)c21 toxic in the TOX21_FXR_BLA_antagonist_ratio assay? | Yes | single_pred_Tox_ToxCast | single_pred_Tox |
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