Computer-aided linear modeling employing QSAR for drug discovery

Abstract:

Quantitative structure-activity relationship (QSAR) is a computational process that relates the chemical structure of compounds with their activities, especially biologic activities or effects. It employs series of computer-based processes to analyze quantitative experimental data of the activities of given compounds with known chemical structures in order to pbkp_redict a relationship, model or equation that will help to propose the activity of known compounds with unknown activities or unknown compounds and their activities. Commonly used computer softwares in QSAR analysis include HYPERCHEM, MATLAB, DRAGON and RECKON. © 2009 Academic Journals.

Año de publicación:

2009

Keywords:

• biological activity
• pbkp_rediction
• Computer software
• QSAR

Fuente:

scopus