Handbook of chemoinformatics algorithms [electronic resource] / editors, Jean-Loup Faulon, Andreas Bender.
Material type:
TextSeries: Chapman and Hall/CRC mathematical & computational biology series ; 33.Publication details: Boca Raton : Chapman & Hall/CRC, 2010Description: xii, 440 p. : illISBN: 9781420082999 (ebook : PDF)Subject(s): Cheminformatics -- Handbooks, manuals, etc | Algorithms | Graph theoryGenre/Form: Electronic books.Additional physical formats: No titleOnline resources: Distributed by publisher. Purchase or institutional license may be required for access. Also available in print edition.| Item type | Current library | Call number | Status | Date due | Barcode |
|---|---|---|---|---|---|
Ebooks
|
Mysore University Main Library | Not for loan | EBCP01586 |
Includes bibliographical references and index.
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 --
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.].
Also available in print edition.
Mode of access: World Wide Web.
There are no comments on this title.