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Journal of Chemical Information and Modeling
|
July 1, 2024
QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design
Lewis Mervin, Alexey Voronov, Mikhail Kabeshov, 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.
Analytica Chimica Acta
|
August 4, 2014
Multivariate curve resolution applied to in situ X-ray absorption spectroscopy data: an efficient tool for data processing and analysis
Alexey Voronov, Atsushi Urakawa, Wouter van Beek, et al.
Chemical Science
|
April 9, 2026
Synthesizability <i>via</i> reward engineering: expanding generative molecular design into synthetic space
Dominik Dekleva, Alexey Voronov, Jon Paul Janet, et al.
Journal of Cheminformatics
|
February 21, 2024
Reinvent 4: Modern AI-driven generative molecule design
Hannes H Loeffler, Jiazhen He, Alessandro Tibo, et al.
Journal of Cheminformatics
|
December 28, 2022
Human-in-the-loop assisted de novo molecular design
Iiris Sundin, Alexey Voronov, Haoping Xiao, et al.
Journal of Cheminformatics
|
November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular design
Jeff Guo, Jon Paul Janet, Matthias R Bauer, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 7) with videos related to
Sort By:
Page
of 1
Journal of Chemical Information and Modeling
|
July 1, 2024
QSARtuna: An Automated QSAR Modeling Platform for Molecular Property Prediction in Drug Design
Lewis Mervin, Alexey Voronov, Mikhail Kabeshov, 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.
Analytica Chimica Acta
|
August 4, 2014
Multivariate curve resolution applied to in situ X-ray absorption spectroscopy data: an efficient tool for data processing and analysis
Alexey Voronov, Atsushi Urakawa, Wouter van Beek, et al.
Chemical Science
|
April 9, 2026
Synthesizability <i>via</i> reward engineering: expanding generative molecular design into synthetic space
Dominik Dekleva, Alexey Voronov, Jon Paul Janet, et al.
Journal of Cheminformatics
|
February 21, 2024
Reinvent 4: Modern AI-driven generative molecule design
Hannes H Loeffler, Jiazhen He, Alessandro Tibo, et al.
Journal of Cheminformatics
|
December 28, 2022
Human-in-the-loop assisted de novo molecular design
Iiris Sundin, Alexey Voronov, Haoping Xiao, et al.
Journal of Cheminformatics
|
November 18, 2021
DockStream: a docking wrapper to enhance de novo molecular design
Jeff Guo, Jon Paul Janet, Matthias R Bauer, et al.
Page
of 1