The descriptors were developed by Dr. Artem Cherkasov. These descriptors=
are calculated based on the previous models of inductive and steric effect=
s, inductive electronegativity and molecular capacitance. These molecular p=
arameters are easily accessible from electronegativities and covalent radii=
of the constituent atoms and interatomic distances and can reflect a varie=
ty of aspects of intra- and intermolecular interactions.
=
The descriptors are based on the Linear Free Energy Relationships (LFER) e=
quations for inductive and steric substituent constants, were implemented a=
ccording to Cherkasov. These descriptors were used for modeling of differen=
t physicochemical and biological properties
Cherkasov, A. Inductive QSAR Descriptors. Distinguishing Com=
pounds with Antibacterial Activity by Artificial Neural Networks Int. J. Mol. Sci.
Cherkasov, A. =E2=80=99Inductive=E2=80=99 Descriptors= : 10 Successful Years in QSAR. Curr. Comp. Aid. Drug Des. 2005, 1,21=E2=88= =9242