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

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.

Keywords: Molecular Modelling, Pharmacophore, QSAR, Quantitative Structure-activity Relationship, Validation.