Discovery of Novel Pim-1 Kinase Inhibitors by a Hierarchical Multistage Virtual Screening Approach Based on SVM Model, Pharmacophore, and Molecular Docking.
Ji-Xia RenLin-Li LiRen-Lin ZhengHuan-Zhang XieZhi-Xing CaoShan FengYou-Li PanXin ChenYu-Quan WeiSheng-Yong YangPublished in: J. Chem. Inf. Model. (2011)
Keyphrases
- multistage
- virtual screening
- drug discovery
- binding sites
- discovery process
- chemical structures
- sequence alignment
- knowledge discovery
- early stage
- single stage
- systems biology
- biological data
- data mining
- stochastic programming
- dynamic programming
- similarity searching
- data mining tools
- optimal policy
- high throughput
- lot sizing
- hiv protease
- sequence data
- biological systems
- dna sequences
- statistical significance
- scientific data
- similarity search
- bayesian networks