Cover image for Practical Chemoinformatics
Title:
Practical Chemoinformatics
Author:
Karthikeyan, Muthukumarasamy. author.
ISBN:
9788132217800
Edition:
1st ed. 2014.
Physical Description:
XXI, 533 p. 621 illus. online resource.
Contents:
Open Source Tools, Techniques and Data in Chemoinformatics -- Chemoinformatics Approach for the Design and Screening of focused virtual libraries -- Machine Learning Methods in Chemoinformatics for Drug Discovery -- Docking and pharmacophore modeling for virtual screening -- Active site directed pose prediction programs for efficient filtering of molecules -- Representation, fingerprinting and modeling of chemical reactions -- Predictive methods for Organic Spectral data Simulation -- Chemical Text mining for Lead Discovery -- Integration of Automated Work flow in Chemoinformatics for drug discovery -- Cloud computing Infrastructure development for Chemoinformatics.
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