Stratagems for effective function evaluation in computational chemistry

Stratagems for effective function evaluation in computational chemistry

In recent years, the potential benefits of high-throughput virtual screening to the drug discovery community have been recognized, bringing an increase in the number of tools developed for this purpose. These programs have to process large quantities of data, searching for an optimal solution in a v...

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Bibliographic Details
Main Author: Skone, Gwyn S.
Other Authors: Cameron, Stephen : Voiculescu, Irina
Published: University of Oxford 2010
Subjects:
502.85
Computational biochemistry : Bioinformatics (life sciences) : Computer science (mathematics) : Geometry : Computational chemistry : Computer aided molecular and material design : Computing : Applications and algorithms : High-Throughput Screening : active sites : computational chemistry : computational geometry : drug discovery : early rejection : genetic algorithms : lazy evaluation : machine learning : molecular structure : parallel processing : pocket detection : protein-ligand docking : quaternions : shape descriptors : spatial reasoning : virtual screening
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.526438

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http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.526438

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