Active filters: SMILES
molssiai-hub/pubchem-04-18-2025
Preview
• Updated • 163
DeepYoke/ToxiMol-benchmark
Viewer
• Updated • 660 • 127
• 2
molvision/BACE-V-SMILES-2
Viewer
• Updated • 303 • 20
scbirlab/rasmussen-2025-csd
Viewer
• Updated • 461k • 37
molvision/BBBP-V-SMILES-2
Viewer
• Updated • 410 • 16
molvision/BACE-V-SMILES-4
Viewer
• Updated • 303 • 36
molvision/BBBP-V-SMILES-4
Viewer
• Updated • 410 • 19
molvision/CLINTOX-V-SMILES-2
Viewer
• Updated • 298 • 31
molvision/CLINTOX-V-SMILES-4
Viewer
• Updated • 298 • 14
molvision/TOX21-V-SMILES-2
Viewer
• Updated • 1.56k • 20
molvision/TOX21-V-SMILES-4
Viewer
• Updated • 1.56k • 19
molvision/ESOL-V-SMILES-2
Viewer
• Updated • 220 • 19
molvision/ESOL-V-SMILES-4
Viewer
• Updated • 220 • 14
molvision/ESOL-V-SMILES-0
Viewer
• Updated • 220 • 38
Viewer
• Updated • 1.63k • 31
Viewer
• Updated • 1.21k • 51
molvision/Clintox-V-Train
Viewer
• Updated • 1.04k • 58
Viewer
• Updated • 6.16k • 25
Viewer
• Updated • 32k • 22
scbirlab/thomas-2018-spark-all
Viewer
• Updated • 384k • 119
molvision/BACE-V-SMILES-0
Viewer
• Updated • 1.21k • 39
molvision/Clintox-V-SMILES-0
Viewer
• Updated • 1.19k • 31
molvision/BBBP-V-SMILES-0
Viewer
• Updated • 410 • 19
molvision/Tox21-V-SMILES-0
Viewer
• Updated • 6.27k • 23
Viewer
• Updated • 13.7k • 31
Viewer
• Updated • 7.68k • 13
Viewer
• Updated • 39.3k • 37
Viewer
• Updated • 51k • 14
• 2
gideonshaked/Simeonov2008
Viewer
• Updated • 7.11k • 27
adsfibonacci/Simeonov2008
Viewer
• Updated • 7.11k • 7