MERMAID: an open source automated hit-to-lead method based on deep reinforcement learning.

Daiki Erikawa Nobuaki Yasuo Masakazu Sekijima

Published 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