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Jérôme Hert
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2020 – today
- 2021
- [j7]Mahendra Awale
, Jérôme Hert
, Laura Guasch
, Sereina Riniker
, Christian Kramer:
The Playbooks of Medicinal Chemistry Design Moves. J. Chem. Inf. Model. 61(2): 729-742 (2021)
2010 – 2019
- 2018
- [j6]Andrew Dalke, Jérôme Hert
, Christian Kramer
:
mmpdb: An Open-Source Matched Molecular Pair Platform for Large Multiproperty Data Sets. J. Chem. Inf. Model. 58(5): 902-910 (2018) - 2016
- [j5]Wolfgang Guba, Agnes Meyder
, Matthias Rarey
, Jérôme Hert
:
Torsion Library Reloaded: A New Version of Expert-Derived SMARTS Rules for Assessing Conformations of Small Molecules. J. Chem. Inf. Model. 56(1): 1-5 (2016)
2000 – 2009
- 2009
- [j4]Eleanor J. Gardiner, Valerie J. Gillet
, Maciej Haranczyk
, Jérôme Hert
, John D. Holliday, Nurul Malim
, Yogendra Patel, Peter Willett:
Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance. Stat. Anal. Data Min. 2(2): 103-114 (2009) - [c1]Shereena M. Arif, Jérôme Hert, John D. Holliday, Nurul Malim
, Peter Willett:
Enhancing the Effectiveness of Fingerprint-Based Virtual Screening: Use of Turbo Similarity Searching and of Fragment Frequencies of Occurrence. PRIB 2009: 404-414 - 2008
- [j3]Jérôme Hert
, Michael J. Keiser
, John J. Irwin
, Tudor I. Oprea
, Brian K. Shoichet:
Quantifying the Relationships among Drug Classes. J. Chem. Inf. Model. 48(4): 755-765 (2008) - 2006
- [j2]Jérôme Hert
, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer:
New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching. J. Chem. Inf. Model. 46(2): 462-470 (2006) - 2004
- [j1]Jérôme Hert
, Peter Willett, David J. Wilton, Pierre Acklin, Kamal Azzaoui, Edgar Jacoby, Ansgar Schuffenhauer:
Comparison of Fingerprint-Based Methods for Virtual Screening Using Multiple Bioactive Reference Structures. J. Chem. Inf. Model. 44(3): 1177-1185 (2004)
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last updated on 2024-08-05 21:19 CEST by the dblp team
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