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Alexandre Varnek

Showing results (71-80 of 158) with videos related to

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Molecular Informatics|April 30, 2020
Parallel Generative Topographic Mapping: An Efficient Approach for Big Data HandlingArkadii 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 CompoundsArkadii Lin, Dragos Horvath, Valentina Afonina, et al.
Journal of Chemical Information and Modeling|September 14, 2022
Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug DiscoveryYuliana Zabolotna, Fanny Bonachera, Dragos Horvath, et al.
Journal of Chemical Information and Modeling|July 25, 2022
HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure GenerationTagir Akhmetshin, Arkadii Lin, Daniyar Mazitov, et al.
Combinatorial Chemistry & High Throughput Screening|March 10, 2015
Prediction of drug induced liver injury using molecular and biological descriptorsChristophe Muller, Dumrongsak Pekthong, Eliane Alexandre, et al.
Journal of Computer-Aided Molecular Design|December 3, 2014
Continuous indicator fields: a novel universal type of molecular fieldsGleb V Sitnikov, Nelly I Zhokhova, Yury A Ustynyuk, et al.
Angewandte Chemie (International Ed. in English)|January 23, 2023
Predicting Highly Enantioselective Catalysts Using Tunable Fragment DescriptorsNobuya Tsuji, Pavel Sidorov, Chendan Zhu, 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 MappingBoris Sattarov, Igor I Baskin, Dragos Horvath, et al.
The Journal of Organic Chemistry|December 3, 2011
Electronic, spectroscopic, and ion-sensing properties of a dehydro[m]pyrido[14]- and [15]annulene isomer libraryPaul N W Baxter, Abdelaziz Al Ouahabi, Jean-Paul Gisselbrecht, et al.
Journal of Chemical Information and Modeling|November 29, 2021
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical DataTimur Gimadiev, Ramil Nugmanov, Aigul Khakimova, et al.
Pageof 16

Showing results (71-80 of 158) with videos related to

Sort By:
Pageof 16
Molecular Informatics|April 30, 2020
Parallel Generative Topographic Mapping: An Efficient Approach for Big Data HandlingArkadii 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 CompoundsArkadii Lin, Dragos Horvath, Valentina Afonina, et al.
Journal of Chemical Information and Modeling|September 14, 2022
Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug DiscoveryYuliana Zabolotna, Fanny Bonachera, Dragos Horvath, et al.
Journal of Chemical Information and Modeling|July 25, 2022
HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure GenerationTagir Akhmetshin, Arkadii Lin, Daniyar Mazitov, et al.
Combinatorial Chemistry & High Throughput Screening|March 10, 2015
Prediction of drug induced liver injury using molecular and biological descriptorsChristophe Muller, Dumrongsak Pekthong, Eliane Alexandre, et al.
Journal of Computer-Aided Molecular Design|December 3, 2014
Continuous indicator fields: a novel universal type of molecular fieldsGleb V Sitnikov, Nelly I Zhokhova, Yury A Ustynyuk, et al.
Angewandte Chemie (International Ed. in English)|January 23, 2023
Predicting Highly Enantioselective Catalysts Using Tunable Fragment DescriptorsNobuya Tsuji, Pavel Sidorov, Chendan Zhu, 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 MappingBoris Sattarov, Igor I Baskin, Dragos Horvath, et al.
The Journal of Organic Chemistry|December 3, 2011
Electronic, spectroscopic, and ion-sensing properties of a dehydro[m]pyrido[14]- and [15]annulene isomer libraryPaul N W Baxter, Abdelaziz Al Ouahabi, Jean-Paul Gisselbrecht, et al.
Journal of Chemical Information and Modeling|November 29, 2021
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical DataTimur Gimadiev, Ramil Nugmanov, Aigul Khakimova, et al.
Pageof 16