Stochastic Generator of Chemical Structure, 2. Using Simulated Annealing To Search the Space of Constitutional Isomers.
Jean-Loup FaulonPublished in: J. Chem. Inf. Comput. Sci. (1996)
Keyphrases
- monte carlo
- simulated annealing
- solution space
- search space
- hill climbing
- search algorithm
- search procedure
- metaheuristic
- search methods
- tabu search
- search strategy
- random search
- lattice structure
- stochastic search
- drug discovery
- global search
- global optimum
- evolutionary algorithm
- objective function
- neural network
- space reduction
- solution quality
- search strategies
- principal component analysis