All properties of organic moleculessphysical, chemical, biological, and
technologicalsdepend on their chemical structure and vary with it in a systematic way. The …

The REACH regulation (recent EU regulation for “Registration, Evaluation, Authorization,
and Restriction of Chemicals”) entered its product-recording phase after December 2008. 1 …

The estimation of aqueous solubilities of organic nonelectrolytes by the General Solubility
Equation (GSE) as proposed by Valvani and Yalkowsky (1980) is used in this study. The …

In 1978, Dr. David Rosenblatt of the US Army* and I had the idea to create a compilation of
estimation methods for environmentally important properties of organic chemicals. This was …

Early formulations are prepared mostly for drug compounds at both discovery and preclinical
stages and are used to animals via various routes such as oral and intravenous dosing …

This article is a review of the use, by regulatory agencies and authorities, of quantitative
structure-activity relationships (QSARs) to predict ecologic effects and environmental fate of …

A combination of additive group contributions and nonadditive molecular parameters is
employed to estimate the normal melting points of 1215 organic compounds. The melting …

For a chemist who is concerned with the synthesis of new energetic compounds, it is
essential to be able to assess physical and thermodynamic properties, as well as the …

Thermodynamic methods based on COSMO (COnductor-like Screening MOdels), such as
COSMO-RS (Real Solvent) and COSMO-SAC (Segment Activity Coefficient), represent …

Quantitative Structure-Activity Relationships (QSARs) are increasingly used to predict the
harmful effects of chemicals to humans and the environment. The increased use of these …