In Silico Functional Profiling of Small Molecules and Its Applications
Abstract
In silico screening is routinely used in the drug discovery process to predict whether each molecule in a database has a function of interest, such as inhibitory activity for a target protein. However, drugs generally have multiple functions including adverse effects. In order to obtain small molecules with desirable physiological effects, it is useful to simultaneously predict as many functions as possible. We employed Support Vector Machine to...
Paper Details
Title
In Silico Functional Profiling of Small Molecules and Its Applications
Published Date
Nov 25, 2008
Volume
51
Issue
24
Pages
7705 - 7716
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