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. The rational approach to pharmaceutical drug design begins with an investigation of the relationship between chemical structure and biological activity. Information gaine...
RNA pseudoknot prediction is an algorithm for RNA sequence search and alignment. An important building block towards pseudoknot prediction is RNA secondary structure prediction. T...
Abstract. Process Mining is a technique for extracting process models from execution logs. This is particularly useful in situations where people have an idealized view of reality....
Background: In the analysis of networks we frequently require the statistical significance of some network statistic, such as measures of similarity for the properties of interact...