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Journal of Chemical Information and Modeling
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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
|
June 25, 2021
NP Navigator: A New Look at the Natural Product Chemical Space
Yuliana Zabolotna, Peter Ertl, Dragos Horvath, et al.
European Journal of Clinical Pharmacology
|
January 11, 2014
The use of three-dimensional similarity in assessing the risk of cross-reactivity between carbamazepine and psychotropic drugs
Eric Le Louarn, Annick Barbaud, Philippe Trechot, 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.
International Journal of Molecular Sciences
|
June 10, 2022
Molecular Similarity Perception Based on Machine-Learning Models
Enrico Gandini, Gilles Marcou, Fanny Bonachera, et al.
Journal of Chemical Information and Modeling
|
November 26, 2014
Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge
Héléna A Gaspar, Igor I Baskin, Gilles Marcou, 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.
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.
Journal of Chemical Information and Modeling
|
November 22, 2012
Models for identification of erroneous atom-to-atom mapping of reactions performed by automated algorithms
Christophe Muller, Gilles Marcou, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
December 21, 2018
Virtual Screening with Generative Topographic Maps: How Many Maps Are Required?
Iuri Casciuc, Yuliana Zabolotna, Dragos Horvath, et al.
Page
of 10
Search research articles
Search
Showing results (31-40 of 94) with videos related to
Sort By:
Page
of 10
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
|
June 25, 2021
NP Navigator: A New Look at the Natural Product Chemical Space
Yuliana Zabolotna, Peter Ertl, Dragos Horvath, et al.
European Journal of Clinical Pharmacology
|
January 11, 2014
The use of three-dimensional similarity in assessing the risk of cross-reactivity between carbamazepine and psychotropic drugs
Eric Le Louarn, Annick Barbaud, Philippe Trechot, 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.
International Journal of Molecular Sciences
|
June 10, 2022
Molecular Similarity Perception Based on Machine-Learning Models
Enrico Gandini, Gilles Marcou, Fanny Bonachera, et al.
Journal of Chemical Information and Modeling
|
November 26, 2014
Chemical data visualization and analysis with incremental generative topographic mapping: big data challenge
Héléna A Gaspar, Igor I Baskin, Gilles Marcou, 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.
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.
Journal of Chemical Information and Modeling
|
November 22, 2012
Models for identification of erroneous atom-to-atom mapping of reactions performed by automated algorithms
Christophe Muller, Gilles Marcou, Dragos Horvath, et al.
Journal of Chemical Information and Modeling
|
December 21, 2018
Virtual Screening with Generative Topographic Maps: How Many Maps Are Required?
Iuri Casciuc, Yuliana Zabolotna, Dragos Horvath, et al.
Page
of 10