In Silico Medicinal Chemistry: Computational Methods to Support Drug Design
Covering computational tools in drug design using techniques from chemoinformatics, molecular modelling and computational chemistry, this book explores these methodologies and applications of in silico medicinal chemistry.The first part of the book covers molecular representation methods in computing in terms of chemical structure, together with guides on common structure file formats. The second part examines commonly used classes of molecular descriptors. The third part provides a guide to statistical learning methods using chemical structure data. The fourth part of the book covers topics such as similarity searching, clustering and divers…
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Produktdetails
- ISBN: 978-1-78262-163-8
- EAN: 9781782621638
- Produktnummer: 18152285
- Verlag: Royal Society Of Chemistry
- Sprache: Englisch
- Erscheinungsjahr: 2015
- Seitenangabe: 232 S.
- Masse: H23.6 cm x B16.3 cm x D1.8 cm 499 g
- Reihenbandnummer: 8
- Gewicht: 499
Über den Autor
Nathan Brown leads the In Silico Medicinal Chemistry group at The Institute of Cancer Research, London, supporting academic drug design by application of chemoinformatics, computational chemistry and molecular modelling, and developing new methodologies.
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