Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures. - Jérôme Hert; Peter Willett 002; David J. Wilton; Pierre Acklin; Kamal Azzaoui; Edgar Jacoby; Ansgar Schuffenhauer (J. Chem. Inf. Model., 2004)

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 002; David J. Wilton; Pierre Acklin; Kamal Azzaoui; Edgar Jacoby; Ansgar Schuffenhauer (J. Chem. Inf. Model., 2006)

Quantifying the Relationships among Drug Classes. - Jérôme Hert; Michael J. Keiser; John J. Irwin; Tudor I. Oprea; Brian K. Shoichet (J. Chem. Inf. Model., 2008)

Enhancing the Effectiveness of Fingerprint-Based Virtual Screening: Use of Turbo Similarity Searching and of Fragment Frequencies of Occurrence. - Shereena M. Arif; Jérôme Hert; John D. Holliday; Nurul Malim; Peter Willett 002 (PRIB, 2009)

Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance. - Eleanor J. Gardiner; Valerie J. Gillet; Maciej Haranczyk; Jérôme Hert; John D. Holliday; Nurul Malim; Yogendra Patel; Peter Willett 002 (Stat. Anal. Data Min., 2009)

Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules. - Wolfgang Guba; Agnes Meyder; Matthias Rarey; Jérôme Hert (J. Chem. Inf. Model., 2016)

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets. - Andrew Dalke; Jérôme Hert; Christian Kramer (J. Chem. Inf. Model., 2018)

The Playbooks of Medicinal Chemistry Design Moves. - Mahendra Awale; Jérôme Hert; Laura Guasch; Sereina Riniker; Christian Kramer (J. Chem. Inf. Model., 2021)