Exploring the Use of Compound-Induced Transcriptomic Data Generated From Cell Lines to Predict Compound Activity Toward Molecular Targets

by Benoît Baillif, Joerg Wichard, Oscar Méndez-Lucio, Oscar Méndez-Lucio, David Rouquié
Published 2020-04-01

Rationalization of Activity Cliffs of a Sulfonamide Inhibitor of DNA Methyltransferases with Induced-Fit Docking

by José L. Medina-Franco, Oscar Méndez-Lucio, Jakyung Yoo
Published 2014-02-01

De novo generation of hit-like molecules from gene expression signatures using artificial intelligence

by Oscar Méndez-Lucio, Benoit Baillif, Djork-Arné Clevert, David Rouquié, Joerg Wichard
Published 2020-01-01