The identification of drug‐target interactions, or interactions between drug candidate
compounds and target candidate proteins, is a crucial process in genomic drug discovery. In …

Metabolic pathway reconstruction presents a challenge for understanding metabolic
pathways in organisms of interest. Different strategies, ie, reference-based vs. de novo, must …

The identification of the modes of action of bioactive compounds is a major challenge in
chemical systems biology of diseases. Genome-wide expression profiling of transcriptional …

Resource description framework (RDF) and Property Graph databases are emerging
technologies that are used for storing graph-structured data. We compare these …

Drug repositioning, or the identification of new indications for known drugs, is a useful
strategy for drug discovery. In this study, we developed novel computational methods to …

The level of ambiguity in describing glycan structure has significantly increased with the
upsurge of large-scale glycomics and glycoproteomics experiments. Consequently, an …

There are lots of biochemical reactions in the biosynthetic pathway without associated
enzymes. Reactions predicted by retro-biosynthetic tools are not assigned gene sequences …

Motivation The complete characterization of enzymatic activities between molecules remains
incomplete, hindering biological engineering and limiting biological discovery. We develop …

Introduction and Objectives Genome-wide association studies have identified a high number
of genetic loci associated with hypertension suggesting the presence of an underlying …

Foods possess a range of unexplored functionalities; however, fully identifying these
functions through empirical means presents significant challenges. In this study, we have …