Diagnostic tests are approaches used in clinical practice to identify with high accuracy the
disease of a particular patient and thus to provide early and proper treatment. Reporting …

The principles and uses of (Q) SAR models and expert systems for predicting toxicity and the
biotransformation of foreign chemicals (xenobiotics) are described and illustrated for some …

A hybrid hydrologic estimation model is presented with the aim of performing accurate river
flow forecasts without the need of using prior knowledge from the experts in the field. The …

The rising demand from consumer goods and pharmaceutical industry is driving a fast
expansion of newly developed chemicals. The conventional toxicity testing of unknown …

Lyophilization can induce aggregation in therapeutic proteins, but the relative importance of
protein structure, formulation and processing conditions are poorly understood. To evaluate …

Quantitative structure‐activity relationship (qSAR) models are used to understand how the
structure and activity of chemical compounds relate. In the present study, 37 carboquinone …

The aim of the present paper is to present the methodology of the molecular descriptors
family (MDF) as an integrative tool in molecular modeling and its abilities as a multivariate …

The goal of the present research was to present a predictivity statistical approach applied on
structure-based prediction models. The approach was applied to the domain of blood-brain …

Molecular descriptors are essential tools that bridge the gap between chemical structures
and their properties. Among these, the Randić index (R), geometric-arithmetic index (GA) …

A genetic algorithm was developed and assessed in order to select pairs of proper structural
descriptors able to estimate and predict octanol-water partition coefficients of …