The success of molecular modeling and computational chemistry efforts are, by definition,
dependent on quality software applications. Open source software development provides …

Non-coding (nc) RNA plays a vital role in biological processes and has been associated
with diseases such as cancer. Classification of ncRNAs is necessary for understanding the …

This paper is focused on modern approaches to machine learning, most of which are as yet
used infrequently or not at all in chemoinformatics. Machine learning methods are …

The design of novel, safe, and effective drugs to treat human diseases is a challenging
venture, with toxicity being one of the main sources of attrition at later stages of …

Importance Multiple organ dysfunction syndrome (MODS) is a dynamic and heterogeneous
process associated with high morbidity and mortality in critically ill children. Objective To …

The development of new, effective, and safe drugs to treat cancer remains a challenging and
time-consuming task due to limited hit rates, restraining subsequent development efforts …

Chemical-genetic approaches offer the potential for unbiased functional annotation of
chemical libraries. Mutations can alter the response of cells in the presence of a compound …

Protein–protein interactions are promising sites for development of selective drugs;
however, they have generally been viewed as challenging targets. Molecules targeting …

Abstract Motivation Non-coding RNA (ncRNA) are small non-coding sequences involved in
gene expression regulation of many biological processes and diseases. The recent …

Graph classification is an increasingly important step in numerous application domains,
such as function prediction of molecules and proteins, computerised scene analysis, and …