J. Hert

发表

Predicting new molecular targets for known drugs

Michael J. Keiser, J. Irwin, B. Shoichet, 2009, Nature.

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

P. Willett, J. Hert, E. Jacoby, 2004, Organic & biomolecular chemistry.

A Real-World Perspective on Molecular Design.

W. Guba, J. Hert, B. Kuhn, 2016, Journal of medicinal chemistry.

Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information.

P. Willett, J. Hert, E. Jacoby, 2005, Journal of medicinal chemistry.

Off-target networks derived from ligand set similarity.

Michael J. Keiser, J. Hert, 2009, Methods in molecular biology.

ChemInform Abstract: Quantifying the Relationships among Drug Classes.

Tudor I. Oprea, Michael J. Keiser, T. Oprea, 2008 .

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

Identifying mechanism-of-action targets for drugs and probes

J. Irwin, B. Shoichet, V. Setola, 2012, Proceedings of the National Academy of Sciences.

Quantifying Biogenic Bias in Screening Libraries

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

Interactive and Versatile Navigation of Structural Databases.

J. Hert, B. Kuhn, J. Cole, 2016, Journal of medicinal chemistry.

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 .

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..

Synthesis, Characterization, and in vivo Evaluation of a Novel Potent Autotaxin-Inhibitor

J. Hert, P. Mattei, M. Rudolph, 2022, Frontiers in Pharmacology.

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.

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, 2006, J. Chem. Inf. Model..

Ligand-based virtual screening using binary kernel discrimination

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

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

Jérôme Hert, Peter Willett, Pierre Acklin, 2004, 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..

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

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

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

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.

New Methods for Similarity-based Virtual Screening

Peter Willett, Jérôme Hert, David J. Wilton, 2006 .

Predicting new molecular targets for known drugs

Michael J. Keiser, J. Irwin, B. Shoichet, 2009, Nature.