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Nature Chemical Biology
|
July 20, 2007
Systems chemical biology
Tudor I Oprea, Alexander Tropsha, Jean-Loup Faulon, et al.
The Annals of Applied Statistics
|
November 29, 2011
LOCAL KERNEL CANONICAL CORRELATION ANALYSIS WITH APPLICATION TO VIRTUAL DRUG SCREENING
Daniel Samarov, J S Marron, Yufeng Liu, et al.
Journal of Medicinal Chemistry
|
June 27, 2003
Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates
Min Shen, Yunde Xiao, Alexander Golbraikh, et al.
Journal of Chemical Information and Modeling
|
July 2, 2013
Predicting binding affinity of CSAR ligands using both structure-based and ligand-based approaches
Denis Fourches, Eugene Muratov, Feng Ding, et al.
Journal of Chemical Information and Modeling
|
April 12, 2008
Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem
M Karthikeyan, S Krishnan, Anil Kumar Pandey, et al.
Pharmaceutical Research
|
June 17, 2008
QSAR modeling of the blood-brain barrier permeability for diverse organic compounds
Liying Zhang, Hao Zhu, Tudor I Oprea, et al.
Arxiv
|
March 30, 2026
Binding Free Energies without Alchemy
Michael Brocidiacono, Brandon Novy, Rishabh Dey, et al.
Pharmaceutical Research
|
April 10, 2013
The use of pseudo-equilibrium constant affords improved QSAR models of human plasma protein binding
Xiang-Wei Zhu, Alexander Sedykh, Hao Zhu, et al.
Nature Communications
|
June 6, 2017
Universal fragment descriptors for predicting properties of inorganic crystals
Olexandr Isayev, Corey Oses, Cormac Toher, et al.
Computational Systems Bioinformatics. Computational Systems Bioinformatics Conference
|
March 21, 2007
Distance-based identification of structure motifs in proteins using constrained frequent subgraph mining
Jun Huan, Deepak Bandyopadhyay, Jan Prins, et al.
Page
of 25
Search research articles
Search
Showing results (81-90 of 248) with videos related to
Sort By:
Page
of 25
Nature Chemical Biology
|
July 20, 2007
Systems chemical biology
Tudor I Oprea, Alexander Tropsha, Jean-Loup Faulon, et al.
The Annals of Applied Statistics
|
November 29, 2011
LOCAL KERNEL CANONICAL CORRELATION ANALYSIS WITH APPLICATION TO VIRTUAL DRUG SCREENING
Daniel Samarov, J S Marron, Yufeng Liu, et al.
Journal of Medicinal Chemistry
|
June 27, 2003
Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates
Min Shen, Yunde Xiao, Alexander Golbraikh, et al.
Journal of Chemical Information and Modeling
|
July 2, 2013
Predicting binding affinity of CSAR ligands using both structure-based and ligand-based approaches
Denis Fourches, Eugene Muratov, Feng Ding, et al.
Journal of Chemical Information and Modeling
|
April 12, 2008
Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem
M Karthikeyan, S Krishnan, Anil Kumar Pandey, et al.
Pharmaceutical Research
|
June 17, 2008
QSAR modeling of the blood-brain barrier permeability for diverse organic compounds
Liying Zhang, Hao Zhu, Tudor I Oprea, et al.
Arxiv
|
March 30, 2026
Binding Free Energies without Alchemy
Michael Brocidiacono, Brandon Novy, Rishabh Dey, et al.
Pharmaceutical Research
|
April 10, 2013
The use of pseudo-equilibrium constant affords improved QSAR models of human plasma protein binding
Xiang-Wei Zhu, Alexander Sedykh, Hao Zhu, et al.
Nature Communications
|
June 6, 2017
Universal fragment descriptors for predicting properties of inorganic crystals
Olexandr Isayev, Corey Oses, Cormac Toher, et al.
Computational Systems Bioinformatics. Computational Systems Bioinformatics Conference
|
March 21, 2007
Distance-based identification of structure motifs in proteins using constrained frequent subgraph mining
Jun Huan, Deepak Bandyopadhyay, Jan Prins, et al.
Page
of 25