QPHAR: quantitative pharmacophore activity relationship: method and validation.
Stefan M. KohlbacherThierry LangerThomas SeidelPublished in: J. Cheminformatics (2021)
Keyphrases
- high precision
- main contribution
- clustering method
- optimization algorithm
- mutual information
- fully automatic
- synthetic data
- experimental evaluation
- cost function
- support vector machine
- dynamic programming
- detection method
- preprocessing
- computational cost
- high accuracy
- multiscale
- theoretical analysis
- support vector machine svm
- error rate
- significant improvement
- objective function