Virtual Screening: A Challenge for Deep Learning.

Javier Pérez-Sianes Horacio Pérez Sánchez Fernando Díaz

Published in: PACBB (2016)

Keyphrases

deep learning
virtual screening
chemical structures
unsupervised learning
drug discovery
machine learning
similarity searching
mental models
data sets
weakly supervised
high throughput
active learning
data analysis
learning strategies
scoring function