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ADMET-AI — Vecura
ADMET-AI
The queued source (DOI 10.1021/acs.jcim.3c01530) resolves to
Janela & Bajorath, "Anatomy of Potency Predictions Focusing on Structural
Analogues with Increasing Potency Differences Including Activity Cliffs"
(J. Chem. Inf. Model. 2023)
Input
Plain list (no header)
CC(=O)Oc1ccccc1
COc1ccc(cc1)C(=O)N
CSV with header (smiles required, name optional)
smiles,name
CC(=O)Oc1ccccc1,Aspirin
Configure input settings on the left, then click "Run"
