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...
Abstract— Recent research has shown that forwarding speculative data to other processors before it is requested can improve the performance of multiprocessor systems. The most re...
Novelty detection is a machine learning technique which identifies new or unknown information in large data sets. We present our current work on the construction of a new novelty...
Simon J. Haggett, Dominique F. Chu, Ian W. Marshal...
— The ability to identify protein binding sites and to detect specific amino acid residues that contribute to the specificity and affinity of protein interactions has importan...
Increasingly, new applications are being built by composing existing software components rather than by coding a system from scratch. Using this approach, applications can be buil...