The Review of Using Estate Indices As Descriptors In QSAR Modeling

摘要

It has been shown that QSAR methodology is a successful means for describing the relation of biological activity and biodegradation of organic compounds to structure information. The electrotopological state indices have been successfully used for over 15 years in QSAR modeling in various areas of physical, chemistry, biology, drug design, and environmental science. With this review, we hope to assist present and future QSAR practitioners to apply E-state indices more easily and more critically. First, we reviewed the methods of E-state's calculation. Then, we cited many successful QSAR models for proving that the E-state indices are one kind of rapidly computed and readily manipulated describers.