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Chemmedchem
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November 21, 2017
Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds
Arkadii Lin, Dragos Horvath, Valentina Afonina, et al.
ACS Medicinal Chemistry Letters
|
June 6, 2014
Ranking high affinity ligands of low solubility by NMR spectroscopy
Isabelle Landrieu, Xavier Hanoulle, Bernd Fritzinger, et al.
Journal of Chemical Information and Modeling
|
March 26, 2019
CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy
Laurent Hoffer, Magali Saez-Ayala, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
December 18, 2020
Chemography: Searching for Hidden Treasures
Yuliana Zabolotna, Arkadii Lin, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
September 3, 2018
Rescoring of docking poses under Occam's Razor: are there simpler solutions?
Michael Zhenin, Malkeet Singh Bahia, Gilles Marcou, et al.
Journal of Chemical Information and Modeling
|
September 14, 2022
Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery
Yuliana Zabolotna, Fanny Bonachera, Dragos Horvath, et al.
Combinatorial Chemistry & High Throughput Screening
|
March 10, 2015
Prediction of drug induced liver injury using molecular and biological descriptors
Christophe Muller, Dumrongsak Pekthong, Eliane Alexandre, et al.
Journal of Chemical Information and Modeling
|
February 21, 2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping
Boris Sattarov, Igor I Baskin, Dragos Horvath, et al.
Molecular Informatics
|
May 5, 2020
A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL)
Dragos Horvath, Alexey Orlov, Dmitry I Osolodkin, et al.
Biomolecules
|
February 25, 2023
Computational Approaches to the Rational Design of Tubulin-Targeting Agents
Helena Pérez-Peña, Anne-Catherine Abel, Maxim Shevelev, et al.
Page
of 11
Search research articles
Search
Showing results (51-60 of 108) with videos related to
Sort By:
Page
of 11
Chemmedchem
|
November 21, 2017
Mapping of the Available Chemical Space versus the Chemical Universe of Lead-Like Compounds
Arkadii Lin, Dragos Horvath, Valentina Afonina, et al.
ACS Medicinal Chemistry Letters
|
June 6, 2014
Ranking high affinity ligands of low solubility by NMR spectroscopy
Isabelle Landrieu, Xavier Hanoulle, Bernd Fritzinger, et al.
Journal of Chemical Information and Modeling
|
March 26, 2019
CovaDOTS: In Silico Chemistry-Driven Tool to Design Covalent Inhibitors Using a Linking Strategy
Laurent Hoffer, Magali Saez-Ayala, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
December 18, 2020
Chemography: Searching for Hidden Treasures
Yuliana Zabolotna, Arkadii Lin, Dragos Horvath, et al.
Journal of Computer-Aided Molecular Design
|
September 3, 2018
Rescoring of docking poses under Occam's Razor: are there simpler solutions?
Michael Zhenin, Malkeet Singh Bahia, Gilles Marcou, et al.
Journal of Chemical Information and Modeling
|
September 14, 2022
Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery
Yuliana Zabolotna, Fanny Bonachera, Dragos Horvath, et al.
Combinatorial Chemistry & High Throughput Screening
|
March 10, 2015
Prediction of drug induced liver injury using molecular and biological descriptors
Christophe Muller, Dumrongsak Pekthong, Eliane Alexandre, et al.
Journal of Chemical Information and Modeling
|
February 21, 2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping
Boris Sattarov, Igor I Baskin, Dragos Horvath, et al.
Molecular Informatics
|
May 5, 2020
A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL)
Dragos Horvath, Alexey Orlov, Dmitry I Osolodkin, et al.
Biomolecules
|
February 25, 2023
Computational Approaches to the Rational Design of Tubulin-Targeting Agents
Helena Pérez-Peña, Anne-Catherine Abel, Maxim Shevelev, et al.
Page
of 11