Jérôme Hert

Predicting new molecular targets for known drugs

Michael J. Keiser, Vincent Setola, John J. Irwin et al. · Nature · 2009 · 1.7K citations

Pharmacy, Bioinformatics, Pharmacology +12

Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures

Jérôme Hert, Peter Willett, David J. Wilton et al. · Organic & Biomolecular Chemistry · 2004 · 264 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17

Quantifying biogenic bias in screening libraries

Jérôme Hert, John J. Irwin, Christian Laggner et al. · Nature Chemical Biology · 2009 · 229 citations · Full text

Pharmacy, Bioinformatics, Chemical Biology +10

New Methods for Ligand-Based Virtual Screening:  Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching

Jérôme Hert, Peter Willett, David J. Wilton et al. · Journal of Chemical Information and Modeling · 2006 · 204 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +17

Identifying mechanism-of-action targets for drugs and probes

Elisabet Gregori‐Puigjané, Vincent Setola, Jérôme Hert et al. · Proceedings of the National Academy of Sciences · 2012 · 181 citations · Full text

Medicine, Medicinal Chemistry, Pharmacology +17