In this paper we present a study of classification of the 20 amino acids via a fuzzy clustering
technique. In order to calculate distances among the various elements we employ two …

Quantitative Structure-Activity Relationship (QSAR) models have been used in
Pharmaceutical design and Medicinal Chemistry for the discovery of anti-parasite drugs …

Machine learning techniques are being applied in quantifying structure–property
relationships for a wide variety of materials, where the properly represented materials play …

Alignment-free (AF) methodologies have increased in popularity in the last decades as
alternative tools to alignment-based (AB) algorithms for performing comparative sequence …

A new set of descriptors was derived from a matrix of three structural variables of the natural
amino acid, including van der Waal's volume, net charge index and hydrophobic parameter …

The toxicity and inefficacy of actual organic drugs against Leishmaniosis justify research
projects to find new molecular targets in Leishmania species including Leishmania infantum …

There are many drugs described with very different affinity to a large number of receptors. In
this work, we selected Drug-Target pairs (DTPs/nDTPs) of drugs with high affinity/non-affinity …

Polygalacturonases (PGs) have called the attention of microbiology scientists and
biotechnology or pharmaceutical industry because they are protein enzymes relevant to …

The number of protein 3D structures without function annotation in Protein Data Bank (PDB)
has been steadily increased. This fact has led in turn to an increment of demand for …

Traditional quantitative structure-activity relationship (QSAR) is a term describing a variety of
approaches that are of substantial interest for chemistry. Quantitative sequence-activity …