PubChem and ChEMBL beyond Lipinski

Capecchi, A; Awale, M; Probst, D; Reymond, JL

Reymond, JL (reprint author), Univ Bern, Dept Chem & Biochem, Freiestr 3, CH-3012 Bern, Switzerland.

MOLECULAR INFORMATICS, 2019; 38 (5):

Abstract

Seven million of the currently 94 million entries in the PubChem database break at least one of the four Lipinski constraints for oral bioavailability......

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