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Virtual Screening of Molecular Databases Using a Support Vector Machine

โœ Scribed by Jorissen, Robert N.; Gilson, Michael K.


Book ID
111951802
Publisher
American Chemical Society
Year
2005
Tongue
English
Weight
253 KB
Volume
45
Category
Article
ISSN
0095-2338

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Virtual Screening of Molecular Databases
โœ Jorissen, Robert N.; Gilson, Michael K. ๐Ÿ“‚ Article ๐Ÿ“… 2005 ๐Ÿ› American Chemical Society ๐ŸŒ English โš– 253 KB

The Support Vector Machine (SVM) is an algorithm that derives a model used for the classification of data into two categories and which has good generalization properties. This study applies the SVM algorithm to the problem of virtual screening for molecules with a desired activity. In contrast to t