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Journal of Chemical Information and Modeling
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May 23, 2006
Multifingerprint based similarity searches for targeted class compound selection
Thierry Kogej, Ola Engkvist, Niklas Blomberg, et al.
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.
Journal of Chemical Information and Modeling
|
May 13, 2009
Comparison of molecular fingerprint methods on the basis of biological profile data
Andreas Steffen, Thierry Kogej, Christian Tyrchan, et al.
Journal of Chemical Information and Modeling
|
May 21, 2021
Comparative Study of Deep Generative Models on Chemical Space Coverage
Jie Zhang, Rocío Mercado, Ola Engkvist, et al.
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.
Journal of Cheminformatics
|
December 9, 2020
Memory-assisted reinforcement learning for diverse molecular de novo design
Thomas Blaschke, Ola Engkvist, Jürgen Bajorath, et al.
Journal of Chemical Information and Modeling
|
October 26, 2017
Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?
Stephanie K Ashenden, Thierry Kogej, Ola Engkvist, et al.
Proteins
|
November 1, 2007
Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening
Chris de Graaf, Nicolas Foata, Ola Engkvist, et al.
Journal of Molecular Graphics & Modelling
|
May 17, 2011
In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms
Hongming Chen, Susanne Winiwarter, Markus Fridén, et al.
Journal of Medicinal Chemistry
|
October 15, 2010
Investigation of the relationship between topology and selectivity for druglike molecules
Yidong Yang, Hongming Chen, Ingemar Nilsson, et al.
Page
of 14
Search research articles
Search
Showing results (21-30 of 135) with videos related to
Sort By:
Page
of 14
Journal of Chemical Information and Modeling
|
May 23, 2006
Multifingerprint based similarity searches for targeted class compound selection
Thierry Kogej, Ola Engkvist, Niklas Blomberg, et al.
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.
Journal of Chemical Information and Modeling
|
May 13, 2009
Comparison of molecular fingerprint methods on the basis of biological profile data
Andreas Steffen, Thierry Kogej, Christian Tyrchan, et al.
Journal of Chemical Information and Modeling
|
May 21, 2021
Comparative Study of Deep Generative Models on Chemical Space Coverage
Jie Zhang, Rocío Mercado, Ola Engkvist, et al.
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.
Journal of Cheminformatics
|
December 9, 2020
Memory-assisted reinforcement learning for diverse molecular de novo design
Thomas Blaschke, Ola Engkvist, Jürgen Bajorath, et al.
Journal of Chemical Information and Modeling
|
October 26, 2017
Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published?
Stephanie K Ashenden, Thierry Kogej, Ola Engkvist, et al.
Proteins
|
November 1, 2007
Molecular modeling of the second extracellular loop of G-protein coupled receptors and its implication on structure-based virtual screening
Chris de Graaf, Nicolas Foata, Ola Engkvist, et al.
Journal of Molecular Graphics & Modelling
|
May 17, 2011
In silico prediction of unbound brain-to-plasma concentration ratio using machine learning algorithms
Hongming Chen, Susanne Winiwarter, Markus Fridén, et al.
Journal of Medicinal Chemistry
|
October 15, 2010
Investigation of the relationship between topology and selectivity for druglike molecules
Yidong Yang, Hongming Chen, Ingemar Nilsson, et al.
Page
of 14