scholarly journals APPLICATION OF SUPPORT VECTOR MACHINES IN VIRTUAL SCREENING

2012 ◽  
Vol 1 (1) ◽  
pp. 56 ◽  
Author(s):  
Soumi Sengupta ◽  
Sanghamitra Bandyopadhyay
Keyword(s):  
Support Vector Machines ◽  
Virtual Screening ◽  
Support Vector ◽  
Vector Machines

Extraction and Visualization of Potential Pharmacophore Points Using Support Vector Machines:  Application to Ligand-Based Virtual Screening for COX-2 Inhibitors

2005 ◽  
Vol 48 (22) ◽  
pp. 6997-7004 ◽  
Author(s):  
Lutz Franke ◽  
Evgeny Byvatov ◽  
Oliver Werz ◽  
Dieter Steinhilber ◽  
Petra Schneider ◽  
...  
Keyword(s):  
Support Vector Machines ◽  
Virtual Screening ◽  
Support Vector ◽  
Vector Machines ◽  
Cox 2 ◽  
Cox 2 Inhibitors

3D Ligand-Based Virtual Screening with Support Vector Machines

2011 ◽  
pp. 35-45
Author(s):  
Jean-Philippe Vert
Keyword(s):  
Support Vector Machines ◽  
Virtual Screening ◽  
3D Structure ◽  
Support Vector ◽  
Vector Machines ◽  
Discretization Step ◽  
Benchmark Datasets

The author reviews an approach, proposed recently by Mahé, Ralaivola, Stoven, and Vert (2006), for ligand-based virtual screening with support vector machines using a kernel based on the 3D structure of the molecules. The kernel detects putative 3-point pharmacophores, and generalizes previous approaches based on 3-point pharmacophore fingerprints. It overcomes the categorization issue associated with the discretization step usually required for the construction of fingerprints, and leads to promising results on several benchmark datasets.

Virtual Screening of Abl Inhibitors from Large Compound Libraries by Support Vector Machines

2009 ◽  
Vol 49 (9) ◽  
pp. 2101-2110 ◽  
Author(s):  
X. H. Liu ◽  
X. H. Ma ◽  
C. Y. Tan ◽  
Y. Y. Jiang ◽  
M. L. Go ◽  
...  
Keyword(s):  
Support Vector Machines ◽  
Virtual Screening ◽  
Support Vector ◽  
Compound Libraries ◽  
Vector Machines ◽  
Large Compound
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