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Handbook of chemoinformatics algorithms /
Describing the characteristics and limitations of key algorithms, this book covers various aspects of chemoinformatics, including structure representation, molecular descriptors, similarity search, virtual screening, and structure-property model generation and validation.
| Clasificación: | Libro Electrónico |
|---|---|
| Otros Autores: | , |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Boca Raton, FL :
Chapman & Hall/CRC,
©2010.
|
| Colección: | Chapman and Hall/CRC mathematical & computational biology series.
|
| Temas: | |
| Acceso en línea: | Texto completo |
MARC
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| 245 | 0 | 0 | |a Handbook of chemoinformatics algorithms / |c edited by Jean-Loup Faulon, Andreas Bender. |
| 260 | |a Boca Raton, FL : |b Chapman & Hall/CRC, |c ©2010. | ||
| 300 | |a 1 online resource (xii, 440 pages) : |b illustrations | ||
| 336 | |a text |b txt |2 rdacontent | ||
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| 347 | |a data file | ||
| 490 | 1 | |a Chapman & Hall/CRC mathematical and computational biology series | |
| 504 | |a Includes bibliographical references and index. | ||
| 505 | 0 | |a Ch. 1. Representing two-dimensional (2D) chemical structures with molecular graphs / Ovidiu Ivanciuc -- ch. 2. Algorithms to store and retrieve two-dimensional (2D) chemical structures / Milind Misra and Jean-Loup Faulon -- ch. 3. Three-dimensional (3D) molecular representations / Egon L. Willighagen -- ch. 4. Molecular descriptors / Nikolas Fechner, Georg Hinselmann, and Jèorg Kurt Wegner -- ch. 5. Ligand- and structure-based virtual screening / Robert D. Clark and Diana C. Roe -- ch. 6. Predictive quantitative structure-activity relationships modeling : data preparation and the general modeling workflow / Alexander Tropsha and Alexander Golbraikh -- ch. 7. Predictive quantitative structure-activity relationships modeling : development and validation of QSAR models / Alexander Tropsha and Alexander Golbraikh. | |
| 520 | |a Describing the characteristics and limitations of key algorithms, this book covers various aspects of chemoinformatics, including structure representation, molecular descriptors, similarity search, virtual screening, and structure-property model generation and validation. | ||
| 588 | 0 | |a Print version record. | |
| 590 | |a ProQuest Ebook Central |b Ebook Central Academic Complete | ||
| 650 | 0 | |a Cheminformatics |v Handbooks, manuals, etc. | |
| 650 | 0 | |a Algorithms. | |
| 650 | 0 | |a Graph theory. | |
| 650 | 0 | |a Computer algorithms. | |
| 650 | 0 | |a Chemistry. | |
| 650 | 2 | |a Chemistry | |
| 650 | 2 | |a Informatics | |
| 650 | 2 | |a Algorithms | |
| 650 | 6 | |a Chimio-informatique |v Guides, manuels, etc. | |
| 650 | 6 | |a Algorithmes. | |
| 650 | 6 | |a Chimie. | |
| 650 | 7 | |a algorithms. |2 aat | |
| 650 | 7 | |a chemistry. |2 aat | |
| 650 | 7 | |a SCIENCE |x Chemistry |x Clinical. |2 bisacsh | |
| 650 | 7 | |a Computer algorithms |2 fast | |
| 650 | 7 | |a Chemistry |2 fast | |
| 650 | 7 | |a Algorithms |2 fast | |
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| 650 | 7 | |a Graph theory |2 fast | |
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| 700 | 1 | |a Faulon, Jean-Loup. | |
| 700 | 1 | |a Bender, Andreas, |d 1976- |1 https://id.oclc.org/worldcat/entity/E39PBJp6ccTyT6wtttrtmXVcT3 | |
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| 830 | 0 | |a Chapman and Hall/CRC mathematical & computational biology series. | |
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