Deep Reinforcement Learning for De-Novo Drug Design.

Mariya Popova Olexandr Isayev Alexander Tropsha

Published in: CoRR (2017)

Keyphrases

drug design
reinforcement learning
drug discovery
protein structure prediction
protein protein interactions
quantitative structure activity
databases
learning algorithm
human genome
mass spectrometry
data mining
dynamic programming
machine learning
high throughput
data mining applications
molecular biology