Cheminformatics and its Applications

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 relate...

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Formaat: Online
Taal:Engels
Gepubliceerd in: IntechOpen 2021
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Online toegang:ONIX_20210420_9781838800680_2960
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collection Directory of Open Access Books
description 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.
format Online
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institution Directory of Open Access Books
language eng
publishDate 2021
publishDateRange 2021
publishDateSort 2021
publisher IntechOpen
publisherStr IntechOpen
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spelling doab-20.500.12854ir-676002024-03-31T13:08:45Z Cheminformatics and its Applications Stefaniu, Amalia Rasul, Azhar Hussain, Ghulam Medical bioinformatics thema EDItEUR::M Medicine and Nursing::MB Medicine: general issues::MBD Medical profession::MBDC Medical ethics and professional conduct 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. 2021-04-20T16:19:23Z 2021-04-20T16:19:23Z 2020 book ONIX_20210420_9781838800680_2960 9781838800680 9781838800673 9781839625183 https://directory.doabooks.org/handle/20.500.12854/67600 eng image/jpeg n/a https://www.intechopen.com/books https://mts.intechopen.com/storage/books/9236/authors_book/authors_book.pdf IntechOpen IntechOpen 10.5772/intechopen.83236 10.5772/intechopen.83236 78a36484-2c0c-47cb-ad67-2b9f5cd4a8f6 9781838800680 9781838800673 9781839625183 IntechOpen 190 open access
spellingShingle Medical bioinformatics
thema EDItEUR::M Medicine and Nursing::MB Medicine: general issues::MBD Medical profession::MBDC Medical ethics and professional conduct
Cheminformatics and its Applications
title Cheminformatics and its Applications
title_full Cheminformatics and its Applications
title_fullStr Cheminformatics and its Applications
title_full_unstemmed Cheminformatics and its Applications
title_short Cheminformatics and its Applications
title_sort cheminformatics and its applications
topic Medical bioinformatics
thema EDItEUR::M Medicine and Nursing::MB Medicine: general issues::MBD Medical profession::MBDC Medical ethics and professional conduct
topic_facet Medical bioinformatics
thema EDItEUR::M Medicine and Nursing::MB Medicine: general issues::MBD Medical profession::MBDC Medical ethics and professional conduct
url ONIX_20210420_9781838800680_2960