Ability of quantitative structure–property/activity relationships (QSPRs/QSARs) to serve for
epistemological processes in natural sciences is discussed. Some weirdness of …

A new series of 5 (or 6)-nitro/amino-2-(substituted phenyl/benzyl) benzoxazole derivatives
(1a–1m, 2a–2l) were synthesized and evaluated for antibacterial and antifungal activities …

The review of QSARs for genotoxicity and carcinogenicity was performed in a broad sense,
considering both models available in software tools and models that are published in the …

To predict the biological effects of chemical compounds based on mathematical and
statistical relationships, quantitative structure–activity relationship (QSAR) approach is used …

In this study, a new series of 2, 5-disubstituted benzoxazoles was synthesized and their
structures were elucidated by elemental analysis, MASS, 1H-NMR, 13C-NMR and IR …

Sunscreening chemicals protect against damage caused by sunlight most absorbing UVA or
UVB radiations. In this sense, 2-(2′-hydroxyphenyl) benzoxazole derivatives with amino …

There has been considerable interest in DNA topoisomerases over the last decade, as they
have been shown to be one of the major cellular targets in anticancer drug development …

The overall aim of the PESTISAR project was to evaluate the potential applicability of
computational methods in the evaluation of the toxicological relevance of metabolites and …

Considering the worth of developing new antibacterial agents against drug-resistant
Stapylococcus aureus, the present study explores the structure-activity relationships …

Using quantum chemical descriptors and partial least squares regression, a quantitative
structure–activity relationship (QSAR) model is developed for the depuration rate constants …