Most Ligand-Based Benchmarks Measure Overfitting Rather than Accuracy.

Izhar Wallach Abraham Heifets

Published in: CoRR (2017)

Keyphrases

correlation coefficient
similarity measure
high accuracy
neural network
computational complexity
distance measure
computational efficiency
computational cost
decision trees
data sets
prediction accuracy
high precision
support vector
high throughput
accuracy rate
drug discovery
training error