Before revision:  We investigated nine widely-used benchmarks for virtual screening and QSAR , and show that the amount of AVE bias strongly correlates with the performance of ligand-based predictive methods irrespective of the predicted property, chemical fingerprint, similarity measure, or previously-applied unbiasing techniques.
After revision:  We investigated nine widely-used benchmarks for virtual screening and classification , and show that the amount of AVE bias strongly correlates with the performance of ligand-based predictive methods irrespective of the predicted property, chemical fingerprint, similarity measure, or previously-applied unbiasing techniques.