MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning.
Daiki ErikawaNobuaki YasuoMasakazu SekijimaPublished in: J. Cheminformatics (2021)
Keyphrases
- open source
- reinforcement learning
- pairwise
- optimization algorithm
- high precision
- neural network
- detection algorithm
- fully automatic
- high accuracy
- theoretical analysis
- synthetic data
- clustering method
- support vector machine svm
- dynamic programming
- multiscale
- learning algorithm
- classification method
- function approximation
- model free
- detection method
- mutual information
- support vector machine
- experimental evaluation
- cost function
- image segmentation