15 citations · 20 across the 3 of their papers we have counts for
3 papers
Development and Evaluation of Conformal Prediction Methods for QSAR
Yuting Xu, Andy Liaw, Robert P. Sheridan +1
The quantitative structure-activity relationship (QSAR) regression model is a commonly used technique for predicting biological activities of compounds using their molecular descri…
Light Gradient Boosting Machine as a Regression Method for Quantitative Structure-Activity Relationships
Robert P. Sheridan, Andy Liaw, Matthew Tudor
In the pharmaceutical industry, where it is common to generate many QSAR models with large numbers of molecules and descriptors, the best QSAR methods are those that can generate t…
3D Protein Structure Predicted from Sequence
Debora S. Marks, Lucy J. Colwell, Robert Sheridan +4
The evolutionary trajectory of a protein through sequence space is constrained by function and three-dimensional (3D) structure. Residues in spatial proximity tend to co-evolve, ye…