We present a new machine learning approach for 3D-QSAR, the task of predicting binding affinities of molecules to target proteins based on 3D structure. Our approach predicts bind...
Background: We present a novel method of protein fold decoy discrimination using machine learning, more specifically using neural networks. Here, decoy discrimination is represent...
Spatial priors play crucial roles in many high-level vision tasks, e.g. scene understanding. Usually, learning spatial priors relies on training a structured output model. In this...
Background: Our goal is to develop a state-of-the-art protein secondary structure predictor, with an intuitive and biophysically-motivated energy model. We treat structure predict...
Blaise Gassend, Charles W. O'Donnell, William Thie...
Probabilistic modeling has been a dominant approach in Machine Learning research. As the field evolves, the problems of interest become increasingly challenging and complex. Makin...
Ming-Wei Chang, Lev-Arie Ratinov, Nicholas Rizzolo...