Predictive Activity Profiling of Drugs by Topological-Fragment-Spectra-Based Support Vector Machines

Author:

Kawai Kentaro1,Fujishima Satoshi1,Takahashi Yoshimasa1

Affiliation:

1. Laboratory for Molecular Information Systems, Department of Knowledge-Based Information Engineering, Toyohashi University of Technology, Hibarigaoka 1-1, Tempaku-cho, Toyohashi 441-8580, Japan

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Reference38 articles.

1. FDA’s Drug Safety Initiative.http://www.fda.gov/cder/drugSafety.htm(accessed Feb 19, 2008).

2. ADMET Descriptors in Discovery Studio;Accelrys:San Diego, CA.

3. DEREK for Windows;Lhasa limited:Leeds, West Yorkshire, U.K.

4. Computer-Assisted Methods in Chemical Toxicity Prediction

5. ADMET in silico modelling: towards prediction paradise?

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