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Briefings in Bioinformatics
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September 6, 2023
3D based generative PROTAC linker design with reinforcement learning
Baiqing Li, Ting Ran, Hongming Chen
Molecular Informatics
|
August 2, 2016
An Investigation of the Relationship Between Molecular Topology and CYP3A4 Inhibition for Drug-like Compounds
Rurika Oka, Ola Engkvist, Hongming Chen
Journal of Chemical Information and Modeling
|
July 1, 2021
De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites
Mingyuan Xu, Ting Ran, Hongming Chen
Molecular Informatics
|
May 19, 2018
Cheminformatics in Drug Discovery, an Industrial Perspective
Hongming Chen, Thierry Kogej, Ola Engkvist
Journal of Chemical Information and Modeling
|
November 17, 2010
Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive molecules
Hongming Chen, Yidong Yang, Ola Engkvist
Methods in Molecular Biology (Clifton, N.J.)
|
October 29, 2010
Combinatorial library design from reagent pharmacophore fingerprints
Hongming Chen, Ola Engkvist, Niklas Blomberg
Current Opinion in Structural Biology
|
June 2, 2023
Application of message passing neural networks for molecular property prediction
Miru Tang, Baiqing Li, Hongming Chen
Future Medicinal Chemistry
|
September 16, 2016
Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?
Igor V Tetko, Ola Engkvist, Hongming Chen
Chemmedchem
|
June 27, 2017
Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective
Michael Withnall, Hongming Chen, Igor V Tetko
Journal of Medicinal Chemistry
|
March 27, 2012
Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds
Yidong Yang, Ola Engkvist, Antonio Llinàs, et al.
Page
of 18
Search research articles
Search
Showing results (11-20 of 174) with videos related to
Sort By:
Page
of 18
Briefings in Bioinformatics
|
September 6, 2023
3D based generative PROTAC linker design with reinforcement learning
Baiqing Li, Ting Ran, Hongming Chen
Molecular Informatics
|
August 2, 2016
An Investigation of the Relationship Between Molecular Topology and CYP3A4 Inhibition for Drug-like Compounds
Rurika Oka, Ola Engkvist, Hongming Chen
Journal of Chemical Information and Modeling
|
July 1, 2021
De Novo Molecule Design Through the Molecular Generative Model Conditioned by 3D Information of Protein Binding Sites
Mingyuan Xu, Ting Ran, Hongming Chen
Molecular Informatics
|
May 19, 2018
Cheminformatics in Drug Discovery, an Industrial Perspective
Hongming Chen, Thierry Kogej, Ola Engkvist
Journal of Chemical Information and Modeling
|
November 17, 2010
Molecular topology analysis of the differences between drugs, clinical candidate compounds, and bioactive molecules
Hongming Chen, Yidong Yang, Ola Engkvist
Methods in Molecular Biology (Clifton, N.J.)
|
October 29, 2010
Combinatorial library design from reagent pharmacophore fingerprints
Hongming Chen, Ola Engkvist, Niklas Blomberg
Current Opinion in Structural Biology
|
June 2, 2023
Application of message passing neural networks for molecular property prediction
Miru Tang, Baiqing Li, Hongming Chen
Future Medicinal Chemistry
|
September 16, 2016
Does 'Big Data' exist in medicinal chemistry, and if so, how can it be harnessed?
Igor V Tetko, Ola Engkvist, Hongming Chen
Chemmedchem
|
June 27, 2017
Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective
Michael Withnall, Hongming Chen, Igor V Tetko
Journal of Medicinal Chemistry
|
March 27, 2012
Beyond size, ionization state, and lipophilicity: influence of molecular topology on absorption, distribution, metabolism, excretion, and toxicity for druglike compounds
Yidong Yang, Ola Engkvist, Antonio Llinàs, et al.
Page
of 18