Advancing Quantitative Structure Activity Relationship Strategies in Ligand-based Computer-aided Drug Design
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چکیده
منابع مشابه
Computational methods in drug discovery.
Computer-aided drug discovery/design methods have played a major role in the development of therapeutically important small molecules for over three decades. These methods are broadly classified as either structure-based or ligand-based methods. Structure-based methods are in principle analogous to high-throughput screening in that both target and ligand structure information is imperative. Str...
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BRIEF RETROSPECTIVE OF COMPUTER-AIDED DRUG DESIGN (CADD) It has been nearly 40 years that quantitative structure-activity relationships (QSAR) methods entered into the practice of pharmaceutical and agrochemical research, opening the way to several generations of computerized rational drug design approaches. The first application of QSAR is attributed to Hansch around 1969, and its appeal may b...
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