My Compound Library
Upload an SDF with many molecules at once - every one becomes a saved record, batch-scored with RDKit descriptors and ADMET-AI predictions, filterable and substructure-searchable across the whole set.
Import a library
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A multi-molecule SDF - up to 1000 compounds
Substructure search
e.g. c1ccccc1 for a benzene ring
Filters
800 Da
4 of 4
max 1.00
Predicted probability of blocking the hERG cardiac ion channel.
max 1.00
Predicted probability of a positive Ames mutagenicity result.
max 1.00
Predicted probability of drug-induced liver injury.
max 1.00
Predicted probability of failing for toxicity in clinical trials.
min 0.00
Composite drug-likeness score, 0-1, higher is more drug-like.
min 0.00
Predicted probability of good human intestinal absorption.
min 0.00
Predicted probability of adequate oral bioavailability.