Fragment-Based Computational Method for Designing GPCR Ligands.
Yan LiYaping SunYunpeng SongDongcheng DaiZhixiong ZhaoQing ZhangWenge ZhongLiaoyuan A. HuYingli MaXun LiRenxiao WangPublished in: J. Chem. Inf. Model. (2020)
Keyphrases
- significant improvement
- high accuracy
- optimization method
- detection method
- pairwise
- cost function
- dynamic programming
- experimental evaluation
- computationally efficient
- classification accuracy
- synthetic data
- support vector machine svm
- mutual information
- support vector machine
- similarity measure
- computational cost
- preprocessing
- objective function
- theoretical analysis
- computational complexity
- fully automatic
- multiscale