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Journal of Cheminformatics
|
December 9, 2024
Be aware of overfitting by hyperparameter optimization!
Igor V Tetko, Ruud van Deursen, Guillaume Godin
Journal of Computer-Aided Molecular Design
|
November 4, 2005
Surrogate data--a secure way to share corporate data
Igor V Tetko, Ruben Abagyan, Tudor I Oprea
Alternatives to Laboratory Animals : ATLA
|
April 26, 2013
From descriptors to predicted properties: experimental design by using applicability domain estimation
Stefan Brandmaier, Sergii Novotarskyi, Iurii Sushko, et al.
Journal of Chemical Information and Modeling
|
April 3, 2012
PLS-optimal: a stepwise D-optimal design based on latent variables
Stefan Brandmaier, Ullrika Sahlin, Igor V Tetko, et al.
Journal of Computer-Aided Molecular Design
|
November 3, 2019
Focused Library Generator: case of Mdmx inhibitors
Zhonghua Xia, Pavel Karpov, Grzegorz Popowicz, et al.
Chemical Research in Toxicology
|
August 8, 2025
Advancing Human and Environmental Safety Science Using <i>In Silico</i> Methods
Alessandra Roncaglioni, Simona Kovarich, Kamel Mansouri, et al.
Current Medicinal Chemistry
|
February 14, 2006
In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions
Konstantin V Balakin, Nikolay P Savchuk, Igor V Tetko
Nucleic Acids Research
|
January 13, 2006
A systematic approach to infer biological relevance and biases of gene network structures
Alexey V Antonov, Igor V Tetko, Hans W Mewes
Journal of Cheminformatics
|
January 26, 2016
The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS
Igor V Tetko, Daniel M Lowe, Antony J Williams
BMC Bioinformatics
|
April 5, 2005
Super paramagnetic clustering of protein sequences
Igor V Tetko, Axel Facius, Andreas Ruepp, et al.
Page
of 13
Search research articles
Search
Showing results (31-40 of 126) with videos related to
Sort By:
Page
of 13
Journal of Cheminformatics
|
December 9, 2024
Be aware of overfitting by hyperparameter optimization!
Igor V Tetko, Ruud van Deursen, Guillaume Godin
Journal of Computer-Aided Molecular Design
|
November 4, 2005
Surrogate data--a secure way to share corporate data
Igor V Tetko, Ruben Abagyan, Tudor I Oprea
Alternatives to Laboratory Animals : ATLA
|
April 26, 2013
From descriptors to predicted properties: experimental design by using applicability domain estimation
Stefan Brandmaier, Sergii Novotarskyi, Iurii Sushko, et al.
Journal of Chemical Information and Modeling
|
April 3, 2012
PLS-optimal: a stepwise D-optimal design based on latent variables
Stefan Brandmaier, Ullrika Sahlin, Igor V Tetko, et al.
Journal of Computer-Aided Molecular Design
|
November 3, 2019
Focused Library Generator: case of Mdmx inhibitors
Zhonghua Xia, Pavel Karpov, Grzegorz Popowicz, et al.
Chemical Research in Toxicology
|
August 8, 2025
Advancing Human and Environmental Safety Science Using <i>In Silico</i> Methods
Alessandra Roncaglioni, Simona Kovarich, Kamel Mansouri, et al.
Current Medicinal Chemistry
|
February 14, 2006
In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions
Konstantin V Balakin, Nikolay P Savchuk, Igor V Tetko
Nucleic Acids Research
|
January 13, 2006
A systematic approach to infer biological relevance and biases of gene network structures
Alexey V Antonov, Igor V Tetko, Hans W Mewes
Journal of Cheminformatics
|
January 26, 2016
The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS
Igor V Tetko, Daniel M Lowe, Antony J Williams
BMC Bioinformatics
|
April 5, 2005
Super paramagnetic clustering of protein sequences
Igor V Tetko, Axel Facius, Andreas Ruepp, et al.
Page
of 13