A Branch-and-Bound approach for tautomer enumeration.
Torsten ThalheimRalf-Uwe EbertRalph KühneGerrit SchüürmannPublished in: J. Cheminformatics (2010)
Keyphrases
- branch and bound
- search space
- branch and bound algorithm
- search algorithm
- lower bound
- column generation
- optimal solution
- upper bound
- combinatorial optimization
- branch and bound procedure
- beam search
- tree search
- metaheuristic
- heuristic search
- tree search algorithm
- branch and bound method
- randomly generated problems
- network design problem
- tree decomposition
- lagrangian heuristic
- search strategies
- linear programming relaxation
- branch and bound search
- partial solutions
- search strategy
- depth first search
- cost function
- search methods
- bayesian networks
- mini bucket
- integer programming problems
- np hard
- dynamic programming
- scheduling problem
- simulated annealing
- satisfiability problem
- reduce the search space
- max sat
- approximation algorithms