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Journal of Chemical Information and Modeling
|
May 8, 2007
Stochastic versus stepwise strategies for quantitative structure-activity relationship generation--how much effort may the mining for successful QSAR models take?
Dragos Horvath, Fanny Bonachera, Vitaly Solov'ev, et al.
Chemmedchem
|
December 20, 2008
Development and validation of a pharmacophore-based QSAR model for the prediction of CNS activity
Rafael Gozalbes, Frédérique Barbosa, Eric Nicolaï, et al.
Chemical Science
|
September 12, 2025
Predicting reaction conditions: a data-driven perspective
Matthew Ball, Dragos Horvath, Thierry Kogej, et al.
Journal of Computer-Aided Molecular Design
|
February 11, 2019
Multi-task generative topographic mapping in virtual screening
Arkadii Lin, Dragos Horvath, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design
|
April 29, 2014
Computational chemogenomics: is it more than inductive transfer?
J B Brown, Yasushi Okuno, Gilles Marcou, et al.
Journal of Chemical Information and Modeling
|
August 17, 2012
Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches
Aurélie de Luca, Dragos Horvath, Gilles Marcou, et al.
Molecular Informatics
|
May 12, 2018
AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis
Pavel Sidorov, Elisabeth Davioud-Charvet, Gilles Marcou, et al.
Molecular Informatics
|
June 25, 2021
NP Navigator: A New Look at the Natural Product Chemical Space
Yuliana Zabolotna, Peter Ertl, Dragos Horvath, et al.
Molecular Informatics
|
December 5, 2024
From High Dimensions to Human Insight: Exploring Dimensionality Reduction for Chemical Space Visualization
Alexey A Orlov, Tagir N Akhmetshin, Dragos Horvath, et al.
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.
Page
of 11
Search research articles
Search
Showing results (31-40 of 108) with videos related to
Sort By:
Page
of 11
Journal of Chemical Information and Modeling
|
May 8, 2007
Stochastic versus stepwise strategies for quantitative structure-activity relationship generation--how much effort may the mining for successful QSAR models take?
Dragos Horvath, Fanny Bonachera, Vitaly Solov'ev, et al.
Chemmedchem
|
December 20, 2008
Development and validation of a pharmacophore-based QSAR model for the prediction of CNS activity
Rafael Gozalbes, Frédérique Barbosa, Eric Nicolaï, et al.
Chemical Science
|
September 12, 2025
Predicting reaction conditions: a data-driven perspective
Matthew Ball, Dragos Horvath, Thierry Kogej, et al.
Journal of Computer-Aided Molecular Design
|
February 11, 2019
Multi-task generative topographic mapping in virtual screening
Arkadii Lin, Dragos Horvath, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design
|
April 29, 2014
Computational chemogenomics: is it more than inductive transfer?
J B Brown, Yasushi Okuno, Gilles Marcou, et al.
Journal of Chemical Information and Modeling
|
August 17, 2012
Mining chemical reactions using neighborhood behavior and condensed graphs of reactions approaches
Aurélie de Luca, Dragos Horvath, Gilles Marcou, et al.
Molecular Informatics
|
May 12, 2018
AntiMalarial Mode of Action (AMMA) Database: Data Selection, Verification and Chemical Space Analysis
Pavel Sidorov, Elisabeth Davioud-Charvet, Gilles Marcou, et al.
Molecular Informatics
|
June 25, 2021
NP Navigator: A New Look at the Natural Product Chemical Space
Yuliana Zabolotna, Peter Ertl, Dragos Horvath, et al.
Molecular Informatics
|
December 5, 2024
From High Dimensions to Human Insight: Exploring Dimensionality Reduction for Chemical Space Visualization
Alexey A Orlov, Tagir N Akhmetshin, Dragos Horvath, et al.
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.
Page
of 11