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Journal of Chemical Information and Modeling
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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.
Journal of Chemical Information and Modeling
|
January 8, 2009
Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients
Alexandre Varnek, Cédric Gaudin, Gilles Marcou, 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.
Journal of Chemical Information and Modeling
|
December 11, 2013
Generative topographic mapping-based classification models and their applicability domain: application to the biopharmaceutics Drug Disposition Classification System (BDDCS)
Héléna A Gaspar, Gilles Marcou, Dragos Horvath, et al.
Carbohydrate Research
|
June 29, 2007
First round of a focused library of cholera toxin inhibitors
Crtomir Podlipnik, Ingrid Velter, Barbara La Ferla, et al.
Journal of Chemical Information and Modeling
|
August 9, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design
Giuseppe Lamanna, Pietro Delre, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design
|
April 5, 2017
QSAR modeling and chemical space analysis of antimalarial compounds
Pavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, et al.
Molecular Informatics
|
August 4, 2016
Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules
Fiorella Ruggiu, Vitaly Solov'ev, Gilles Marcou, et al.
Page
of 10
Search research articles
Search
Showing results (51-60 of 94) with videos related to
Sort By:
Page
of 10
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.
Journal of Chemical Information and Modeling
|
January 8, 2009
Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients
Alexandre Varnek, Cédric Gaudin, Gilles Marcou, 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.
Journal of Chemical Information and Modeling
|
December 11, 2013
Generative topographic mapping-based classification models and their applicability domain: application to the biopharmaceutics Drug Disposition Classification System (BDDCS)
Héléna A Gaspar, Gilles Marcou, Dragos Horvath, et al.
Carbohydrate Research
|
June 29, 2007
First round of a focused library of cholera toxin inhibitors
Crtomir Podlipnik, Ingrid Velter, Barbara La Ferla, et al.
Journal of Chemical Information and Modeling
|
August 9, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design
Giuseppe Lamanna, Pietro Delre, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design
|
April 5, 2017
QSAR modeling and chemical space analysis of antimalarial compounds
Pavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, et al.
Molecular Informatics
|
August 4, 2016
Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional Molecules
Fiorella Ruggiu, Vitaly Solov'ev, Gilles Marcou, et al.
Page
of 10