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cheminformatics

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maomlab/AqSolDB

Viewer • Updated Jan 30 • 9.98k • 174

maomlab/MutagenLou2023

Viewer • Updated May 19 • 10k • 282

molssiai-hub/pubchem-07-23-2024

Updated Aug 30, 2024 • 4 • 1

molssiai-hub/pubchem-10-15-2024

Updated Oct 16, 2024 • 98

molssiai-hub/pubchem-10-15-2024-selfies

Updated Oct 18, 2024 • 7

Derify/augmented_canonical_pubchem_13m

Viewer • Updated Feb 22 • 13.3M • 40

molssiai-hub/pubchem-02-21-2025

Updated Apr 30 • 3

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated 14 days ago • 42.8M • 80

Derify/safe_druglike_QED_33M

Viewer • Updated Feb 24 • 33.6M • 32

Derify/safe_pubchem_10m

Viewer • Updated Feb 24 • 10.2M • 22

luxuan-lulu/Bioactivity_Final_project

Viewer • Updated Apr 16 • 15.1k • 20

molssiai-hub/pubchem-04-18-2025

Preview • Updated Apr 30 • 11

sarahantgan/5HT_Ki_Prediction

Viewer • Updated Apr 23 • 98.7k • 22

Derify/pubchem_10m_genmol_similarity

Viewer • Updated Jun 13 • 21.1M • 58

Derify/druglike

Viewer • Updated 14 days ago • 72M • 112