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Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing.
Jon M. Sutter
Steven L. Dixon
Peter C. Jurs
Published in:
J. Chem. Inf. Comput. Sci. (1995)
Keyphrases
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quantitative structure activity
simulated annealing
drug design
drug discovery
evolutionary algorithm
genetic algorithm
preprocessing
computational model
metaheuristic
complex systems
protein structure prediction