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Journal of Chemical Information and Modeling
|
May 24, 2011
A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition
Sergii Novotarskyi, Iurii Sushko, Robert Körner, et al.
Journal of Cheminformatics
|
March 27, 2025
Publishing neural networks in drug discovery might compromise training data privacy
Fabian P Krüger, Johan Östman, Lewis Mervin, et al.
International Journal of Molecular Sciences
|
February 15, 2022
More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins
Aleksey I Rusanov, Olga A Dmitrieva, Nugzar Zh Mamardashvili, et al.
Molecular Informatics
|
July 29, 2016
BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry
Igor V Tetko, Ola Engkvist, Uwe Koch, et al.
Chemical Research in Toxicology
|
August 21, 2023
Introduction to the Special Issue: AI Meets Toxicology
Günter Klambauer, Djork-Arné Clevert, Imran Shah, et al.
Journal of Chemical Information and Modeling
|
August 11, 2012
ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions
Iurii Sushko, Elena Salmina, Vladimir A Potemkin, et al.
Molecular Informatics
|
December 1, 2018
A Survey of Multi-task Learning Methods in Chemoinformatics
Sergey Sosnin, Mariia Vashurina, Michael Withnall, et al.
Computational Biology and Chemistry
|
July 26, 2005
Exploiting scale-free information from expression data for cancer classification
Alexey V Antonov, Igor V Tetko, Denis Kosykh, et al.
Journal of Chemical Information and Modeling
|
March 27, 2007
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?
Alexandre Varnek, Natalia Kireeva, Igor V Tetko, et al.
Alternatives to Laboratory Animals : ATLA
|
April 30, 2014
Prediction of acute aquatic toxicity toward Daphnia magna by using the GA-kNN method
Matteo Cassotti, Davide Ballabio, Viviana Consonni, et al.
Page
of 13
Search research articles
Search
Showing results (61-70 of 126) with videos related to
Sort By:
Page
of 13
Journal of Chemical Information and Modeling
|
May 24, 2011
A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition
Sergii Novotarskyi, Iurii Sushko, Robert Körner, et al.
Journal of Cheminformatics
|
March 27, 2025
Publishing neural networks in drug discovery might compromise training data privacy
Fabian P Krüger, Johan Östman, Lewis Mervin, et al.
International Journal of Molecular Sciences
|
February 15, 2022
More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins
Aleksey I Rusanov, Olga A Dmitrieva, Nugzar Zh Mamardashvili, et al.
Molecular Informatics
|
July 29, 2016
BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry
Igor V Tetko, Ola Engkvist, Uwe Koch, et al.
Chemical Research in Toxicology
|
August 21, 2023
Introduction to the Special Issue: AI Meets Toxicology
Günter Klambauer, Djork-Arné Clevert, Imran Shah, et al.
Journal of Chemical Information and Modeling
|
August 11, 2012
ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions
Iurii Sushko, Elena Salmina, Vladimir A Potemkin, et al.
Molecular Informatics
|
December 1, 2018
A Survey of Multi-task Learning Methods in Chemoinformatics
Sergey Sosnin, Mariia Vashurina, Michael Withnall, et al.
Computational Biology and Chemistry
|
July 26, 2005
Exploiting scale-free information from expression data for cancer classification
Alexey V Antonov, Igor V Tetko, Denis Kosykh, et al.
Journal of Chemical Information and Modeling
|
March 27, 2007
Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points?
Alexandre Varnek, Natalia Kireeva, Igor V Tetko, et al.
Alternatives to Laboratory Animals : ATLA
|
April 30, 2014
Prediction of acute aquatic toxicity toward Daphnia magna by using the GA-kNN method
Matteo Cassotti, Davide Ballabio, Viviana Consonni, et al.
Page
of 13