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Prediction of P-Glycoprotein Substrates by a Support Vector Machine Approach

✍ Scribed by Xue, Y.; Yap, C.W.; Sun, L.Z.; Cao, Z.W.; Wang, J.F.; Chen, Y.Z.


Book ID
118118193
Publisher
American Chemical Society
Year
2004
Tongue
English
Weight
93 KB
Volume
44
Category
Article
ISSN
0095-2338

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A topological substructural molecular design approach (TOPS-MODE) has been used to predict whether a given compound is a P-glycoprotein (P-gp) substrate or not. A linear discriminant model was developed to classify a data set of 163 compounds as substrates or nonsubstrates (91 substrates and 72 nons