pBRICS: A Novel Fragmentation Method for Explainable Property Prediction of Drug-Like Small Molecules.
Sarveswara Rao VangalaSowmya Ramaswamy KrishnanNavneet BungRajgopal SrinivasanArijit RoyPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- preprocessing
- high accuracy
- experimental evaluation
- support vector machine
- detection method
- computational cost
- pairwise
- dynamic programming
- feature selection
- prediction model
- fully automatic
- classification method
- synthetic data
- clustering method
- optimization algorithm
- theoretical analysis
- computationally efficient
- support vector machine svm
- semi supervised
- significant improvement
- k means
- artificial neural networks
- computational complexity
- similarity measure
- correlation coefficient
- data sets