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Molecular Informatics
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January 5, 2023
French dispatch: GTM-based analysis of the Chimiothèque Nationale Chemical Space
Polina Oleneva, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
October 13, 2015
Stargate GTM: Bridging Descriptor and Activity Spaces
Héléna A Gaspar, Igor I Baskin, Gilles Marcou, et al.
Molecular Informatics
|
November 3, 2017
Transductive Ridge Regression in Structure-activity Modeling
Gilles Marcou, Grace Delouis, Olena Mokshyna, et al.
Molecular Informatics
|
January 4, 2022
Exploration of the Chemical Space of DNA-encoded Libraries
Regina Pikalyova, Yuliana Zabolotna, Dmitriy M Volochnyuk, et al.
Molecular Informatics
|
February 25, 2020
Application of the mol2vec Technology to Large-size Data Visualization and Analysis
Shojiro Shibayama, Gilles Marcou, Dragos Horvath, et al.
Molecules (Basel, Switzerland)
|
July 2, 2021
DMSO Solubility Assessment for Fragment-Based Screening
Shamkhal Baybekov, Gilles Marcou, Pascal Ramos, et al.
Molecular Informatics
|
April 30, 2020
Parallel Generative Topographic Mapping: An Efficient Approach for Big Data Handling
Arkadii Lin, Igor I Baskin, Gilles Marcou, et al.
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.
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.
Page
of 10
Search research articles
Search
Showing results (41-50 of 94) with videos related to
Sort By:
Page
of 10
Molecular Informatics
|
January 5, 2023
French dispatch: GTM-based analysis of the Chimiothèque Nationale Chemical Space
Polina Oleneva, Yuliana Zabolotna, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
October 13, 2015
Stargate GTM: Bridging Descriptor and Activity Spaces
Héléna A Gaspar, Igor I Baskin, Gilles Marcou, et al.
Molecular Informatics
|
November 3, 2017
Transductive Ridge Regression in Structure-activity Modeling
Gilles Marcou, Grace Delouis, Olena Mokshyna, et al.
Molecular Informatics
|
January 4, 2022
Exploration of the Chemical Space of DNA-encoded Libraries
Regina Pikalyova, Yuliana Zabolotna, Dmitriy M Volochnyuk, et al.
Molecular Informatics
|
February 25, 2020
Application of the mol2vec Technology to Large-size Data Visualization and Analysis
Shojiro Shibayama, Gilles Marcou, Dragos Horvath, et al.
Molecules (Basel, Switzerland)
|
July 2, 2021
DMSO Solubility Assessment for Fragment-Based Screening
Shamkhal Baybekov, Gilles Marcou, Pascal Ramos, et al.
Molecular Informatics
|
April 30, 2020
Parallel Generative Topographic Mapping: An Efficient Approach for Big Data Handling
Arkadii Lin, Igor I Baskin, Gilles Marcou, et al.
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.
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.
Page
of 10