General Approach to Estimate Error Bars for Quantitative Structure-Activity Relationship Predictions of Molecular Activity. - Ruifeng Liu; Kyle P. Glover; Michael G. Feasel; Anders Wallqvist (J. Chem. Inf. Model., 2018)

Dissecting Machine-Learning Prediction of Molecular Activity: Is an Applicability Domain Needed for Quantitative Structure-Activity Relationship Models Based on Deep Neural Networks? - Ruifeng Liu; Hao Wang; Kyle P. Glover; Michael G. Feasel; Anders Wallqvist (J. Chem. Inf. Model., 2019)