Background: High-throughput screening (HTS) is a key part of the drug discovery process during which thousands of chemical compounds are screened and their activity levels measure...
Recent theoretical and empirical work in statistical machine learning has demonstrated the importance of learning algorithms for deep architectures, i.e., function classes obtaine...
Abstract: With today’s available computer power, free energy calculations from equilibrium molecular dynamics simulations “via counting” become feasible for an increasing num...
In this paper, we analyze the efficiency of Monte Carlo methods for incremental computation of PageRank, personalized PageRank, and similar random walk based methods (with focus o...
Background: Standard graphs, where each edge links two nodes, have been extensively used to represent the connectivity of metabolic networks. It is based on this representation th...