New Strategies in Quantitative Structure-Activity Relationships
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Описание:
Quantitative Structure-Activity Relationships (QSAR) is a technique used to establish correlations between chemical structures and a given target property, such as the affinity at a given receptor. QSAR represents an important tool in drug design, allowing early prediction of the biological activity of newly designed molecules. In this work, QSAR methods were applied to ligands for the adenosine receptors, which possess many therapeutic potentials. Two different approaches were attempted: on one hand the rigorous observation of QSAR guidelines provided by the Organisation for Economic Co-operation and Development (OECD) in each step of model development, on the other hand an innovative and more dynamic method. In both cases, attention was focused on the validation of the obtained models, especially concerning their goodness-of-fit, robustness, predictive ability and applicability domain. Due to the wide range of possible applications of QSAR methods, this book is addressed not only to...Похожие книги
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