ABSTRACT
The objective of chemical property estimation is to calculate the value of a physicochemical property which may be difficult, expensive, or even impossible to measure directly. An estimation method consists of a mathematical relationship between two chemical properties or between a computable structural descriptor and a chemical property coupled with a procedure for using the relationship to obtain quantitative predictions. The mathematical models used for this purpose relate the values of physical and chemical properties of interest to the values of molecular and molar properties which are easy or inexpensive to obtain. Satisfactory models are accurate, reliable, and no more complex than necessary.
