Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition.
Yuji TakaokaYutaka EndoSusumu YamanobeHiroyuki KakinumaTaketoshi OkuboYouichi ShimazakiTomomi OtaShigeyuki SumiyaKensei YoshikawaPublished in: J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
- data sets
- computational cost
- neural network
- preprocessing
- high accuracy
- benchmark data sets
- high precision
- test data
- synthetic data
- detection method
- cost function
- input data
- segmentation method
- significant improvement
- case study
- genetic algorithm
- support vector machine
- face recognition
- dynamic programming
- classification method
- objective function