Казанский (Приволжский) федеральный университет, КФУ
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«HANDLING OF MARKUSH STRUCTURES«, CHAPTER IN «TUTORIALS IN CHEMOINFORMATICS«
Форма представленияУчебники без грифа
Год публикации2017
Языканглийский
  • Маджидов Тимур Исмаилович, автор
  • Библиографическое описание на языке оригинала Madzhidov, T. Handling of Markush Structures / T.I. Madzhidov, R.I. Nugmanov, A. Varnek //Tutorials in Chemoinformatics. - Hoboken: John Wiley & Sons, 2017 - p. 67-73.
    Аннотация 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
    Ключевые слова markush; enumeration; chemical library; virtual compounds
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