Conformer Generation with OMEGA: Algorithm and Validation Using High Quality Structures from the Protein Databank and Cambridge Structural Database.
Paul C. D. HawkinsA. Geoffrey SkillmanGregory L. WarrenBenjamin A. EllingsonMatthew T. StahlPublished in: J. Chem. Inf. Model. (2010)
Keyphrases
- high quality
- database
- optimal solution
- generation algorithm
- high accuracy
- dynamic programming
- learning algorithm
- computational complexity
- optimization algorithm
- np hard
- databases
- computational cost
- objective function
- relational databases
- detection algorithm
- k means
- cost function
- recognition algorithm
- matching algorithm
- single scan
- significant improvement
- data sets
- worst case
- super resolution
- particle swarm optimization
- search space
- preprocessing
- path planning
- structural information
- bayesian networks
- database systems