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Molecular Informatics
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August 17, 2016
Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds
Marta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
Journal of Computer-Aided Molecular Design
|
July 29, 2017
Structure-reactivity modeling using mixture-based representation of chemical reactions
Pavel Polishchuk, Timur Madzhidov, Timur Gimadiev, et al.
Scientific Data
|
February 21, 2024
An update of skin permeability data based on a systematic review of recent research
Lisa Chedik, Shamkhal Baybekov, Frédéric Cosnier, 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.
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
|
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
|
March 27, 2007
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?
Alexandre Varnek, Natalia Kireeva, Igor V Tetko, et al.
Molecules (Basel, Switzerland)
|
July 2, 2021
DMSO Solubility Assessment for Fragment-Based Screening
Shamkhal Baybekov, Gilles Marcou, Pascal Ramos, et al.
Page
of 16
Search research articles
Search
Showing results (61-70 of 158) with videos related to
Sort By:
Page
of 16
Molecular Informatics
|
August 17, 2016
Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds
Marta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
Journal of Computer-Aided Molecular Design
|
July 29, 2017
Structure-reactivity modeling using mixture-based representation of chemical reactions
Pavel Polishchuk, Timur Madzhidov, Timur Gimadiev, et al.
Scientific Data
|
February 21, 2024
An update of skin permeability data based on a systematic review of recent research
Lisa Chedik, Shamkhal Baybekov, Frédéric Cosnier, 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.
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
|
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
|
March 27, 2007
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?
Alexandre Varnek, Natalia Kireeva, Igor V Tetko, et al.
Molecules (Basel, Switzerland)
|
July 2, 2021
DMSO Solubility Assessment for Fragment-Based Screening
Shamkhal Baybekov, Gilles Marcou, Pascal Ramos, et al.
Page
of 16