Jérôme Hert

发表

Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules

Matthias Rarey, Wolfgang Guba, Agnes Meyder, 2016, J. Chem. Inf. Model..

mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets

Jérôme Hert, Christian Kramer, Andrew Dalke, 2018, J. Chem. Inf. Model..

Quantifying the Relationships among Drug Classes

Tudor I. Oprea, Jérôme Hert, Brian K. Shoichet, 2008, J. Chem. Inf. Model..

Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures

Jérôme Hert, Peter Willett, Pierre Acklin, 2004, J. Chem. Inf. Model..

Turbo similarity searching: Effect of fingerprint and dataset on virtual‐screening performance

Jérôme Hert, Peter Willett, Valerie J. Gillet, 2009, Stat. Anal. Data Min..

Ligand-based virtual screening using binary kernel discrimination

Jérôme Hert, Peter Willett, Robert F. Harrison, 2005 .

Enhancing the Effectiveness of Fingerprint-Based Virtual Screening: Use of Turbo Similarity Searching and of Fragment Frequencies of Occurrence

Jérôme Hert, Peter Willett, John D. Holliday, 2009, PRIB.

The Playbooks of Medicinal Chemistry Design Moves

Jérôme Hert, Christian Kramer, Laura Guasch, 2021, J. Chem. Inf. Model..

Can we discover pharmacological promiscuity early in the drug discovery process?

Wolfgang Guba, Jérôme Hert, Alexander Hillebrecht, 2012, Drug discovery today.

Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance

Jérôme Hert, Peter Willett, Valerie J. Gillet, 2009 .

Quantifying Biogenic Bias in Screening Libraries

Jérôme Hert, Brian K. Shoichet, Michael J. Keiser, 2009, Nature chemical biology.

CONFECT: Conformations from an Expert Collection of Torsion Patterns

Matthias Rarey, Jérôme Hert, Therese Inhester, 2013, ChemMedChem.

Prospective Evaluation of Free Energy Calculations for the Prioritization of Cathepsin L Inhibitors.

Jérôme Hert, Robert Abel, Lingle Wang, 2017, Journal of medicinal chemistry.

Inside Cover: CONFECT: Conformations from an Expert Collection of Torsion Patterns (ChemMedChem 10/2013)

Matthias Rarey, Jérôme Hert, Therese Inhester, 2013 .

Learning Medicinal Chemistry Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) Rules from Cross-Company Matched Molecular Pairs Analysis (MMPA).

Jérôme Hert, Christian Kramer, Martin Stahl, 2017, Journal of medicinal chemistry.