30 tutorials and more than 100 exercises in chemoinformatics, supported by online software and data sets Chemoinformatics 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. Tutorials in Chemoinformatics 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. Each 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. Key topics and methods covered in Tutorials in Chemoinformatics include: Data curation and standardization Development and use of chemical databases Structure encoding by molecular descriptors, text strings and binary fingerprints The design of diverse and focused libraries Chemical data analysis and visualization Structure-property/activity modeling (QSAR/QSPR) Ensemble modeling approaches, including bagging, boosting, stacking and random subspaces 3D pharmacophores modeling and pharmacological profiling using shape analysis Protein-ligand docking Implementation of algorithms in a high-level programming language Tutorials in Chemoinformatics 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.
This new edition introduces more problem-solving strategies and new conceptual and challenge problems. Also, each Chapter Review has been enhanced with Learning Goals to reinforce the mastery of concepts for students.
This laboratory manual contains 42 experiments for the standard sequence of topics in general, organic, and biological chemistry.
The book guides students through basic chemistry problem solving with engaging visuals and a focus on developing the math skills necessary to be successful in the course.
The full text downloaded to your computer With eBooks you can: search for key concepts, words and phrases make highlights and notes as you study share your notes with friends eBooks are downloaded to your computer and accessible either ...
Basic Chemistry
Basic Chemistry, Books a la Carte Edition
Essential Laboratory Manual for General, Organic and Biological Chemistry
The main objective in writing this text is to make the study of chemistry an engaging and a positive experience for students by relating the structure and behaviour of matter to real life.
The eText pages look exactly like the printed text, and include powerful interactive and customization functions. This is the product access code card for MasteringChemistry with Pearson eText and does not include the actual bound book.
Health, Environmental, and Green Chemistry Notes throughout the text relate chemistry chapters to real-life topics in health, the environment, and medicine that are interesting and motivating to students.