Cheminformatics and its Applications
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Cheminformatics and its Applications

Amalia Stefaniu, Azhar Rasul, Ghulam Hussain

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  1. 190 pages
  2. English
  3. PDF
  4. Available on iOS & Android
eBook - PDF

Cheminformatics and its Applications

Amalia Stefaniu, Azhar Rasul, Ghulam Hussain

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About This Book

Cheminformatics has emerged as an applied branch of Chemistry that involves multidisciplinary knowledge, connecting related fields such as chemistry, computer science, biology, pharmacology, physics, and mathematical statistics.The book is organized in two sections, including multiple aspects related to advances in the development of informatic tools and their specific use in compound structure databases with various applications in life sciences, mainly in medicinal chemistry, for identification and development of new therapeutically active molecules. The book covers aspects related to genomic analysis, semantic similarity, chemometrics, pattern recognition techniques, chemical reactivity prediction, drug-likeness assessment, bioavailability, biological target recognition, machine-based drug discovery and design. Results from various computational tools and methods are discussed in the context of new compound design and development, sharing promising opportunities, and perspectives.

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Information

Publisher
IntechOpen
Year
2020
ISBN
9781839625183
Topic
Informatique
Subtopic
Bio-informatique

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