Abstract. A machine learning-based approach to the prediction of molecular bioactivity in new drugs is proposed. Two important aspects are considered for the task: feature subset s...
Abstract: This article presents a novel concept, the minimal molecular surface (MMS), for the theoretical modeling of biomolecules. The MMS can be viewed as a result of the surface...
Realizability theory is not just a fundamental tool in logic and computability. It also has direct application to the design and implementation of programs, since it can produce co...
Abstract In this paper we introduce the Weighted Suffix Tree, an efficient data structure for computing string regularities in weighted sequences of molecular data. Molecular Wei...
Costas S. Iliopoulos, Christos Makris, Yannis Pana...
Computability theory, which investigates computable functions and computable sets, lies at the foundation of computer science. Its classical presentations usually involve a fair a...