Active filters: SMILES
Viewer • Updated • 1.01k • 91
• 1
Viewer • Updated • 3.67M • 3.67k
• 21
jglaser/protein_ligand_contacts
Viewer • Updated • 20.8k • 169
• 9
jglaser/pdbbind_complexes
Viewer • Updated • 16.1k • 295
• 1
jglaser/pdb_protein_ligand_complexes
Updated • 347
• 7
sagawa/pubchem-10m-canonicalized
Viewer • Updated • 10M • 330
• 7
sagawa/ZINC-canonicalized
Viewer • Updated • 23M • 329
djh992/pdbbind_complex_GB2022
Viewer • Updated • 14.9k • 211
• 1
BASF-AI/PubChemSMILESCanonDescPC
Viewer • Updated • 2.05k • 17
BASF-AI/PubChemSMILESCanonTitlePC
Viewer • Updated • 2.05k • 24
BASF-AI/PubChemSMILESIsoTitlePC
Viewer • Updated • 2.05k • 41
BASF-AI/CoconutSMILES2FormulaPC
Viewer • Updated • 4k • 19
BASF-AI/CoconutSmiles2NameBitextMining
Viewer • Updated • 622k • 38
• 1
BASF-AI/CoconutSMILES2FormulaBM
Viewer • Updated • 4k • 33
BASF-AI/CoconutSmiles2NameBitextMining2
Viewer • Updated • 5k • 8
molssiai-hub/pubchem-07-23-2024
Updated • 69
• 1
BASF-AI/PubChemSMILESIsoTitleBM
Viewer • Updated • 7.07k • 14
BASF-AI/PubChemSMILESIsoDescBM
Viewer • Updated • 7.07k • 24
BASF-AI/PubChemSMILESCanonTitleBM
Viewer • Updated • 15.5k • 27
BASF-AI/PubChemSMILESCanonDescBM
Viewer • Updated • 15.5k • 17
scbirlab/lyu-wang-balius-singh-2019-ampc
Viewer • Updated • 96.2M • 143
scbirlab/lyu-wang-balius-singh-2019-d4
Viewer • Updated • 116M • 88
molssiai-hub/pubchem-10-15-2024
Updated • 95
scbirlab/cyc-pep-6-12mer-70M-2024
Viewer • Updated • 125M • 212
scbirlab/steshin-2023-lohi
Viewer • Updated • 119k • 120
scbirlab/fang-2023-biogen-adme
Viewer • Updated • 7.04k • 634
scbirlab/cyc-pep-6-12mer-650M-2024
Viewer • Updated • 1.2B • 93
• 1
scbirlab/hudson-2023-dosedo
Viewer • Updated • 7.45M • 141
Viewer • Updated • 21.5M • 241
• 1
molssiai-hub/pubchem-02-21-2025
Updated • 26