The Derivation of a Matched Molecular Pairs Based ADME/Tox Knowledge Base for Compound Optimization.
James A. LumleyPrashant V. DesaiJi-Bo WangSuntara CahyaHongzhou ZhangPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- knowledge base
- global optimization
- optimization algorithm
- pairwise
- optimization problems
- three dimensional
- optimization method
- knowledge based systems
- description logics
- knowledge acquisition
- neural network
- knowledge structures
- logic programming
- knowledge representation
- expert systems
- data sets
- information systems
- domain experts
- learning algorithm
- genetic algorithm
- optimization methods
- discrete optimization
- dna computing