Handbook of chemoinformatics algorithms. (©2010)

• Record Type: Book
• Further Information: Note: Edited by Jean-Loup Faulon, Andreas Bender.
• Other Names: Faulon, Jean-Loup; Bender, Andreas, 1976-
• Contents: 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.
• Publisher Details: Boca Raton, FL : Chapman & Hall/CRC
• Publication Date: 2010
• Copyright Date: 2010
• Extent: 1 online resource (xii, 440 pages), illustrations
• Subjects: 542/.85; Cheminformatics -- Handbooks, manuals, etc; Algorithms; Graph theory; Chemistry; Informatics; Cheminformatics; Handbooks, manuals, etc; Science; SCIENCE -- Chemistry -- Clinical; Algorithms; Cheminformatics; Graph theory; Electronic books; Handbooks and manuals
• Languages: English
• ISBNs: 9781420082999
• Related ISBNs: 142008299X; 9781420082920; 1420082922
• Notes: Note: Includes bibliographical references and index.; Note: Print version record.
• Access Rights: Legal Deposit; Only available on premises controlled by the deposit library and to one user at any one time; The Legal Deposit Libraries (Non-Print Works) Regulations (UK).
• Access Usage: Restricted: Printing from this resource is governed by The Legal Deposit Libraries (Non-Print Works) Regulations (UK) and UK copyright law currently in force.