A Review on Quantitative Structure-Activity and Relationships (QSAR) Methods

QSAR is an analytical application that can be used to interpret the quantitative relationship between biological activities of a particular molecule and its structure. The product will then produce useful equations, images or models in either 2D 3D form would relate their responses physical properties molecular Hologram (HQSAR) uses holograms PLS generate fragment-based structure-activity relationships. Unlike other 3D-QSAR methods, HQSAR does not require alignment molecules, allowing automated analysis very large data sets. CoMFA applied, as it often is, when structure receptor unknown. To apply CoMFA, all needed are structures molecules. Comparative Molecular Similarity Indices Analysis (CoMSIA) known one newer methodology. This technique most commonly drug discovery find common features important binding relevant receptor. partial least squares (PLS) method was explore linear correlation CoMSIA fields activity values.