MARC details
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02958nam a2200373Ia 4500 |
| 001 - |
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CAH00CE2922PDF |
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FlBoTFG |
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20120525154004.0 |
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| 008 - FIXED-LENGTH DATA ELEMENTS--GENERAL INFORMATION |
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100301s2010 fluad sbf 001 0 eng d |
| 020 ## - INTERNATIONAL STANDARD BOOK NUMBER |
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| International Standard Book Number |
9781420082999 (ebook : PDF) |
| 040 ## - |
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FlBoTFG |
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FlBoTFG |
| 090 ## - LOCALLY ASSIGNED LC-TYPE CALL NUMBER |
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QD39.3.E46 |
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H357 2010 |
| 092 ## - |
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542.85 |
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H236 |
| 245 00 - TITLE STATEMENT |
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| Title |
Handbook of chemoinformatics algorithms |
| Statement of responsibility, etc |
editors, Jean-Loup Faulon, Andreas Bender. |
| 260 ## - PUBLICATION, DISTRIBUTION, ETC. (IMPRINT) |
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| Place of publication, distribution, etc |
Boca Raton : |
| Name of publisher, distributor, etc |
Chapman & Hall/CRC, |
| Date of publication, distribution, etc |
2010. |
| 300 ## - PHYSICAL DESCRIPTION |
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| Extent |
xii, 440 p. : |
| Other physical details |
ill. |
| 505 0# - |
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| Formatted contents note |
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 J�rg 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 -- |
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| Formatted contents note |
ch. 8. Structure enumeration and sampling / Markus Meringer -- ch. 9. Computer-aided molecular design : inverse design / Donald P. Visco, Jr. -- ch. 10. Computer-aided molecular design : De Novo design / Diana C. Roe -- ch. 11. Reaction network generation / Jean-Loup Faulon and Pablo Carbonell -- ch. 12. Open source chemoinformatics software and database technologies / Rajarshi Guha -- ch. 13. Sequence alignment algorithms : applications to glycans and trees and tree-like structures / Tatsuya Akutsu -- ch. 14. Machine learning-based bioinformatics algorithms : application to chemicals / Shawn Martin -- ch. 15. Using systems biology techniques to determine metabolic fluxes and metabolite pool sizes / Fangping Mu ... [et al.]. |
| 650 #0 - |
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| Topical term or geographic name as entry element |
Cheminformatics |
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| Topical term or geographic name as entry element |
Algorithms. |
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| Topical term or geographic name as entry element |
Graph theory. |
| 700 1# - |
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| Personal name |
Faulon, Jean-Loup. |
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| Personal name |
Bender, Andreas, |
| 856 40 - |
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| Uniform Resource Identifier |
http://marc.crcnetbase.com/isbn/9781420082999 |
| 245 00 - TITLE STATEMENT |
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[electronic resource] / |
| 490 1# - |
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Chapman & Hall/CRC mathematical and computational biology series ; |
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33 |
| 504 ## - |
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Includes bibliographical references and index. |
| 530 ## - |
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Also available in print edition. |
| 538 ## - |
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Mode of access: World Wide Web. |
| 650 #0 - |
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Handbooks, manuals, etc. |
| 655 #7 - |
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Electronic books. |
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lcsh |
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1976- |
| 776 1# - |
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9781420082920 |
| 830 #0 - |
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Chapman and Hall/CRC mathematical & computational biology series ; |
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33. |
| 856 40 - |
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application/PDF |
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Distributed by publisher. Purchase or institutional license may be required for access. |
| 952 ## - LOCATION AND ITEM INFORMATION (KOHA) |
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0 |
