Edit Datasets filters

cheminformatics

Other with no match

Trained with AutoTrain

Datasets

10

Full-text search

Active filters: cheminformatics

maomlab/AqSolDB

Viewer • Updated Jan 30 • 9.98k • 229

maomlab/MutagenLou2023

Viewer • Updated Jan 30 • 10k • 696

molssiai-hub/pubchem-07-23-2024

Updated Aug 30, 2024 • 545 • 1

molssiai-hub/pubchem-10-15-2024

Updated Oct 16, 2024 • 140

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

Updated Oct 18, 2024 • 68

Derify/augmented_canonical_pubchem_13m

Viewer • Updated 21 days ago • 13.3M • 100

molssiai-hub/pubchem-02-21-2025

Updated 22 days ago • 10

Derify/augmented_canonical_druglike_QED_43M

Viewer • Updated 21 days ago • 42.8M • 66

Derify/safe_druglike_QED_33M

Viewer • Updated 19 days ago • 33.6M • 68

Derify/safe_pubchem_10m

Viewer • Updated 19 days ago • 10.2M • 88