Applied Computer-Aided Drug Design: Models and Methods

Quantitative Structure-activity Relationship (QSAR) in Studying the Biologically Active Molecules

Author(s): Serap ÇETINKAYA, Burak TÜZÜN* and Emin SARIPINAR

Pp: 33-56 (24)

DOI: 10.2174/9789815179934123010004

* (Excluding Mailing and Handling)

Abstract

Recently, many new methods have been used in the research and development of a new drug. In this article, QSAR, which is one of the usable areas of artificial intelligence during molecule research, and the analysis and formulation studies related to the suitability of this area are discussed. It is explained how a model to be created is prepared and calculation formulas for how to verify this model are shown. Examples of the most recent 4D-QSAR calculations are given.

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