The numerical encoding of chemical structure with Topological Indices (TIs) is currently
growing in importance in Medicinal Chemistry and Bioinformatics. This approach allows the …

Describing the connectivity of chemical and/or biological systems using networks is a
straight gate for the introduction of mathematical tools in proteomics. Networks, in some …

The method MARCH-INSIDE (MARkovian CHemicals IN SIlico DEsign) is a simple but
efficient computational approach to the study of Quantitative Structure-Activity Relationships …

Although one standard amino-acid'alphabet'is used by most organisms on Earth, the
evolutionary cause (s) and significance of this alphabet remain elusive. Fresh insights into …

A new set of bond-level molecular descriptors (bond-based linear indices) are used here in
QSAR (quantitative structure–activity relationship) studies of tyrosinase inhibitors, for finding …

Malaria has been one of the most significant public health problems for centuries. It affects
many tropical and subtropical regions of the world. The increasing resistance of Plasmodium …

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

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

Non-stochastic and stochastic 2D bilinear indices have been generalized to codify chemical
structure information for chiral drugs, making use of a trigonometric 3D-chirality correction …

The most important limitation of antifungal QSAR models is that they predict the biological
activity of drugs against only one fungal species. This is determined due the fact that most of …