R-group template CoMFA combines benefits of "ad hoc" and topomer alignments using 3D-QSAR for lead optimization.
Richard D. CramerPublished in: J. Comput. Aided Mol. Des. (2012)
Keyphrases
- global optimization
- template matching
- optimization problems
- takes advantage
- optimization algorithm
- database
- optimization process
- constrained optimization
- optimization model
- optimization strategies
- learning algorithm
- artificial intelligence
- multi objective
- matching algorithm
- combinatorial optimization
- discrete optimization