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Journal of Chemical Information and Modeling
|
May 30, 2012
Exploiting structural information in patent specifications for key compound prediction
Christian Tyrchan, Jonas Boström, Fabrizio Giordanetto, et al.
Bioorganic & Medicinal Chemistry Letters
|
November 3, 2009
Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds
Christian Tyrchan, Niklas Blomberg, Ola Engkvist, et al.
ACS Central Science
|
February 3, 2018
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
Marwin H S Segler, Thierry Kogej, Christian Tyrchan, et al.
Journal of Chemical Information and Modeling
|
March 15, 2016
Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design
Christoph Grebner, Jessica Iegre, Johan Ulander, et al.
SLAS Discovery : Advancing Life Sciences R & D
|
March 20, 2020
Combined siRNA and Small-Molecule Phenotypic Screening Identifies Targets Regulating Rhinovirus Replication in Primary Human Bronchial Epithelial Cells
Mei Ding, Christian Tyrchan, Elisabeth Bäck, et al.
ACS Omega
|
August 8, 2022
Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design
Karolina Kwapien, Eva Nittinger, Jiazhen He, et al.
Journal of Chemical Information and Modeling
|
January 12, 2022
Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex
Dhanushka Weerakoon, Rodrigo J Carbajo, Leonardo De Maria, et al.
Drug Discovery Today
|
March 9, 2024
Augmenting DMTA using predictive AI modelling at AstraZeneca
Gian Marco Ghiandoni, Emma Evertsson, David J Riley, et al.
Journal of Cheminformatics
|
October 22, 2025
Correction: Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries
Hongtao Zhao, Eva Nittinger, Melissa A Yu, et al.
ACS Omega
|
May 31, 2021
Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity Prediction
Daniel Fernández-Llaneza, Silas Ulander, Dea Gogishvili, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 61) with videos related to
Sort By:
Page
of 7
Journal of Chemical Information and Modeling
|
May 30, 2012
Exploiting structural information in patent specifications for key compound prediction
Christian Tyrchan, Jonas Boström, Fabrizio Giordanetto, et al.
Bioorganic & Medicinal Chemistry Letters
|
November 3, 2009
Physicochemical property profiles of marketed drugs, clinical candidates and bioactive compounds
Christian Tyrchan, Niklas Blomberg, Ola Engkvist, et al.
ACS Central Science
|
February 3, 2018
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural Networks
Marwin H S Segler, Thierry Kogej, Christian Tyrchan, et al.
Journal of Chemical Information and Modeling
|
March 15, 2016
Binding Mode and Induced Fit Predictions for Prospective Computational Drug Design
Christoph Grebner, Jessica Iegre, Johan Ulander, et al.
SLAS Discovery : Advancing Life Sciences R & D
|
March 20, 2020
Combined siRNA and Small-Molecule Phenotypic Screening Identifies Targets Regulating Rhinovirus Replication in Primary Human Bronchial Epithelial Cells
Mei Ding, Christian Tyrchan, Elisabeth Bäck, et al.
ACS Omega
|
August 8, 2022
Implications of Additivity and Nonadditivity for Machine Learning and Deep Learning Models in Drug Design
Karolina Kwapien, Eva Nittinger, Jiazhen He, et al.
Journal of Chemical Information and Modeling
|
January 12, 2022
Impact of PROTAC Linker Plasticity on the Solution Conformations and Dissociation of the Ternary Complex
Dhanushka Weerakoon, Rodrigo J Carbajo, Leonardo De Maria, et al.
Drug Discovery Today
|
March 9, 2024
Augmenting DMTA using predictive AI modelling at AstraZeneca
Gian Marco Ghiandoni, Emma Evertsson, David J Riley, et al.
Journal of Cheminformatics
|
October 22, 2025
Correction: Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries
Hongtao Zhao, Eva Nittinger, Melissa A Yu, et al.
ACS Omega
|
May 31, 2021
Siamese Recurrent Neural Network with a Self-Attention Mechanism for Bioactivity Prediction
Daniel Fernández-Llaneza, Silas Ulander, Dea Gogishvili, et al.
Page
of 7