{"product_id":"tutorials-in-chemoinformatics-hardcover","title":"Tutorials in Chemoinformatics - Hardcover","description":"\u003cp\u003eby \u003cb\u003eAlexandre Varnek\u003c\/b\u003e (Editor)\u003c\/p\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003e\u003cb\u003e30 tutorials and more than 100 exercises in chemoinformatics, supported by online software and data sets\u003c\/b\u003e\u003c\/p\u003e \u003cp\u003eChemoinformatics is widely used in both academic and industrial chemical and biochemical research worldwide. Yet, until this unique guide, there were no books offering practical exercises in chemoinformatics methods. \u003ci\u003eTutorials in Chemoinformatics\u003c\/i\u003e contains more than 100 exercises in 30 tutorials exploring key topics and methods in the field. It takes an applied approach to the subject with a strong emphasis on problem-solving and computational methodologies.\u003c\/p\u003e \u003cp\u003eEach tutorial is self-contained and contains exercises for students to work through using a variety of software packages. The majority of the tutorials are divided into three sections devoted to theoretical background, algorithm description and software applications, respectively, with the latter section providing step-by-step software instructions. Throughout, three types of software tools are used: in-house programs developed by the authors, open-source programs and commercial programs which are available for free or at a modest cost to academics. The in-house software and data sets are available on a dedicated companion website.\u003c\/p\u003e \u003cp\u003eKey topics and methods covered in \u003ci\u003eTutorials in Chemoinformatics\u003c\/i\u003e include: \u003c\/p\u003e \u003cul\u003e \u003cli\u003eData curation and standardization\u003c\/li\u003e \u003cli\u003eDevelopment and use of chemical databases\u003c\/li\u003e \u003cli\u003eStructure encoding by molecular descriptors, text strings and binary fingerprints\u003c\/li\u003e \u003cli\u003eThe design of diverse and focused libraries\u003c\/li\u003e \u003cli\u003eChemical data analysis and visualization\u003c\/li\u003e \u003cli\u003eStructure-property\/activity modeling (QSAR\/QSPR)\u003c\/li\u003e \u003cli\u003eEnsemble modeling approaches, including bagging, boosting, stacking and random subspaces\u003c\/li\u003e \u003cli\u003e3D pharmacophores modeling and pharmacological profiling using shape analysis\u003c\/li\u003e \u003cli\u003eProtein-ligand docking\u003c\/li\u003e \u003cli\u003eImplementation of algorithms in a high-level programming language\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003e\u003ci\u003eTutorials in Chemoinformatics\u003c\/i\u003e is an ideal supplementary text for advanced undergraduate and graduate courses in chemoinformatics, bioinformatics, computational chemistry, computational biology, medicinal chemistry and biochemistry. It is also a valuable working resource for medicinal chemists, academic researchers and industrial chemists looking to enhance their chemoinformatics skills.\u003c\/p\u003e\u003ch3\u003eBack Jacket\u003c\/h3\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003e\u003cb\u003e30 tutorials and more than 100 exercises in chemoinformatics, supported by online software and data sets\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003eChemoinformatics is widely used in both academic and industrial chemical and biochemical research worldwide. Yet, until this unique guide, there were no books offering practical exercises in chemoinformatics methods. \u003ci\u003eTutorials in Chemoinformatics\u003c\/i\u003e contains more than 100 exercises in 30 tutorials exploring key topics and methods in the field. It takes an applied approach to the subject with a strong emphasis on problem-solving and computational methodologies. \u003c\/p\u003e\u003cp\u003eEach tutorial is self-contained and contains exercises for students to work through using a variety of software packages. The majority of the tutorials are divided into three sections devoted to theoretical background, algorithm description and software applications, respectively, with the latter section providing step-by-step software instructions. Throughout, three types of software tools are used: in-house programs developed by the authors, open-source programs and commercial programs which are available for free or at a modest cost to academics. The in-house software and data sets are available on a dedicated companion website. \u003c\/p\u003e\u003cp\u003eKey topics and methods covered in \u003ci\u003eTutorials in Chemoinformatics\u003c\/i\u003e include: \u003c\/p\u003e\u003cul\u003e \u003cli\u003eData curation and standardization\u003c\/li\u003e \u003cli\u003eDevelopment and use of chemical databases\u003c\/li\u003e \u003cli\u003eStructure encoding by molecular descriptors, text strings and binary fingerprints\u003c\/li\u003e \u003cli\u003eThe design of diverse and focused libraries\u003c\/li\u003e \u003cli\u003eChemical data analysis and visualization\u003c\/li\u003e \u003cli\u003eStructure-property\/activity modeling (QSAR\/QSPR)\u003c\/li\u003e \u003cli\u003eEnsemble modeling approaches, including bagging, boosting, stacking and random subspaces\u003c\/li\u003e \u003cli\u003e3D pharmacophores modeling and pharmacological profiling using shape analysis\u003c\/li\u003e \u003cli\u003eProtein-ligand docking\u003c\/li\u003e \u003cli\u003eImplementation of algorithms in a high-level programming language\u003c\/li\u003e \u003c\/ul\u003e \u003cp\u003e\u003ci\u003eTutorials in Chemoinformatics\u003c\/i\u003e is an ideal supplementary text for advanced undergraduate and graduate courses in chemoinformatics, bioinformatics, computational chemistry, computational biology, medicinal chemistry and biochemistry. It is also a valuable working resource for medicinal chemists, academic researchers and industrial chemists looking to enhance their chemoinformatics skills. \u003cbr\u003e\u003c\/p\u003e\u003ch3\u003eAuthor Biography\u003c\/h3\u003e\u003cp\u003e\u003c\/p\u003e\u003cp\u003e\u003cb\u003eEdited by\u003c\/b\u003e \u003c\/p\u003e\u003cp\u003e\u003cb\u003eAlexandre Varnek, PhD, \u003c\/b\u003e is a professor of theoretical chemistry at The University of Strasbourg, France where he heads the Laboratory of Chemoinformatics, and is Director of two MSc programs: Chemoinformatics and In Silico Drug Design. Professor Varnek's research focuses on developing new approaches and tools for virtual screening and \"in silico\" design of new compounds and chemical reactions.\u003c\/p\u003e\u003cdiv\u003e\n\u003cstrong\u003eNumber of Pages:\u003c\/strong\u003e 488\u003c\/div\u003e\u003cdiv\u003e\n\u003cstrong\u003eDimensions:\u003c\/strong\u003e 1 x 9.7 x 6.8 IN\u003c\/div\u003e\u003cdiv\u003e\n\u003cstrong\u003ePublication Date:\u003c\/strong\u003e August 14, 2017\u003c\/div\u003e","brand":"Books by splitShops","offers":[{"title":"Default Title","offer_id":47447639982258,"sku":"9781119137962","price":155.45,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0770\/3891\/1666\/files\/f7cf455032c3d6d0bbd092e76d82639a.webp?v=1778743818","url":"https:\/\/box.dadyminds.org\/products\/tutorials-in-chemoinformatics-hardcover","provider":"DADYMINDS BOX","version":"1.0","type":"link"}