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Alexandre Varnek - Tutorials in Chemoinformatics - 9781119137962 - V9781119137962
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Tutorials in Chemoinformatics

€ 106.05
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Description for Tutorials in Chemoinformatics Hardcover. 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. Num Pages: 472 pages. BIC Classification: PN; PS. Category: (P) Professional & Vocational. Dimension: 244 x 170. .

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 ... Read more

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.

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Product Details

Publisher
John Wiley & Sons Inc
Format
Hardback
Publication date
2017
Condition
New
Weight
28g
Number of Pages
496
Place of Publication
New York, United States
ISBN
9781119137962
SKU
V9781119137962
Shipping Time
Usually ships in 7 to 11 working days
Ref
99-50

About Alexandre Varnek
Edited by Alexandre Varnek, PhD, 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 ... Read more

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