IRMA-International.org: Creator of Knowledge
Information Resources Management Association
Advancing the Concepts & Practices of Information Resources Management in Modern Organizations

The “ETA” Indices in QSAR/QSPR/QSTR Research

The “ETA” Indices in QSAR/QSPR/QSTR Research
View Sample PDF
Author(s): Kunal Roy (Jadavpur University, India)and Rudra Narayan Das (Jadavpur University, India)
Copyright: 2017
Pages: 34
Source title: Pharmaceutical Sciences: Breakthroughs in Research and Practice
Source Author(s)/Editor(s): Information Resources Management Association (USA)
DOI: 10.4018/978-1-5225-1762-7.ch038

Purchase

View The “ETA” Indices in QSAR/QSPR/QSTR Research on the publisher's website for pricing and purchasing information.

Abstract

Descriptors are one of the most essential components of predictive Quantitative Structure-Activity/Property/Toxicity Relationship (QSAR/QSPR/QSTR) modeling analysis, as they encode chemical information of molecules in the form of quantitative numbers, which are used to develop mathematical correlation models. The quality of a predictive model not only depends on good modeling statistics, but also on the extraction of chemical features. A significant amount of research since the beginning of QSAR analysis paradigm has led to the introduction of a large number of predictor variables or descriptors. The Extended Topochemical Atom (ETA) indices, developed by the authors' group, successfully address the aspects of molecular topology, electronic information, and different types of bonded interactions, and have been extensively employed for the modeling of different types of activity/property and toxicity endpoints. This chapter provides explicit information regarding the basis, algorithm, and applicability of the ETA indices for a predictive modeling paradigm.

Related Content

Abul Kalam Azad, Mohamad Dayoob, Fatema Tuz Zohera. © 2024. 21 pages.
W. H. P. A. D. Perera, Mithuni N. Senadeera, Dinusha N. Udukala. © 2024. 26 pages.
Thi Van Anh Nguyen, Trang Nguyen Ngoc, Thanh Tung Bui. © 2024. 43 pages.
Abul Kalam Azad, Mallari Praveen, Wan Mohd Azizi Bin Wan Sulaiman. © 2024. 31 pages.
Bancha Yingngam. © 2024. 43 pages.
Babi Lakkoju, Swapna Asuthkar, Gundla Rambabu, Kolli Balakrishna. © 2024. 20 pages.
Arthi Gunasekaran, Trisha Sathya, Vijaya Anand Arumugam, Balamuralikrishnan Balasubramanian, Asirvatham Alwin Robert, Arun Meyyazhagan. © 2024. 31 pages.
Body Bottom