{"product_id":"quantitative-drug-design-9781420070996","title":"Quantitative Drug Design","description":"\u003cb\u003eBook Synopsis\u003c\/b\u003e\u003cbr\u003e\u003cp\u003eSince the publication of the first edition, the field has changed dramatically. Scientists can now explicitly consider 3D features in quantitative structure-activity relationship (QSAR) studies and often have the 3D structure of the macromolecular target to guide the 3D QSAR. Improvements in computer hardware and software have also made the methods more accessible to scientists. Taking these developments into account, \u003cstrong\u003eQuantitative Drug Design\u003c\/strong\u003e\u003cstrong\u003e: A Critical Introduction, Second Edition\u003c\/strong\u003e shows scientists how to apply QSAR techniques at a state-of-the-art level.\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cp\u003e\u003cstrong\u003eNew to the Second Edition\u003c\/strong\u003e\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cul\u003e\n\u003cbr\u003e\u003cbr\u003e\u003cp\u003e\u003cbr\u003e\u003cbr\u003e\u003c\/p\u003e\n\u003cli\u003eA new chapter on methods that identify the 3D conformations to use for 3D QSAR\u003c\/li\u003e\n\u003cbr\u003e\u003cbr\u003e\u003cli\u003eNew discussions on partial least squares, multidimensional scaling, clustering, support vector machines, kNN potency prediction, and recursive partitioning\u003c\/li\u003e\n\u003cbr\u003e\u003cbr\u003e\u003cli\u003eExpanded case studies that\u003cbr\u003e\u003cbr\u003e\u003cb\u003eTable of Contents\u003c\/b\u003e\u003cbr\u003e\u003cp\u003eOverview of Quantitative Drug Design. Noncovalent Interactions in Biological Systems. Preparation of 3D Structures of Molecules for 3D QSAR. Calculating Physical Properties of Molecules. Biological Data. Form of Equations Relating Potency and Physical Properties. Statistical Basis of Regression and Partial Least-Squares Analysis. Strategy for the Statistical Evaluation of a Data Set of Related Molecules. Detailed Examples of QSAR Calculations on Erythromycin Esters. Case Studies. Methods to Approach Other Structure-Activity Problems.\u003c\/p\u003e\n\u003cp\u003e\u003c\/p\u003e\n\u003c\/li\u003e\n\u003c\/ul\u003e","brand":"Taylor \u0026 Francis Inc","offers":[{"title":"Default Title","offer_id":49408098304343,"sku":"9781420070996","price":166.25,"currency_code":"GBP","in_stock":false}],"url":"https:\/\/bookcurl.com\/products\/quantitative-drug-design-9781420070996","provider":"Book Curl","version":"1.0","type":"link"}