Knowledge-based expert systems in chemistry : not counting on computers /: not counting on computers. (©2009)

• Record Type: Book
• Further Information: Note: Philip Judson.
• Other Names: Judson, Philip
• Contents: Introduction -- Knowledge-Based Approach to Synthesis Planning -- EROS and CAMEO -- Spin-off from the Harvard project -- Structure, sub-structure and super-structure searching -- technical -- Structure representations -- Explicit and implicit hydrogen atoms -- Aromaticity, tautomerism, stereochemistry -- Predicting toxicity -- DEREK -- PHARM-MATCH and TOX-MATCH, Oncologic, and HazardExpert -- TopKat and Multicase -- The 2D/2.5D/3D debate -- Using reasoning -- Derek for Windows -- Predicting metabolism -- Meteor Relative reasoning -- Biodegradation -- Other potential applications -- Consensus modelling -- Evaluation and Validation -- Conclusions/Where now?
• Publisher Details: Cambridge : Royal Society of Chemistry
• Publication Date: 2009
• Copyright Date: 2009
• Extent: 1 online resource (x, 211 pages), illustrations
• Subjects: 542/.85; SCIENCE / Chemistry / Organic; Chemistry -- Data processing; Expert systems (Computer science); SCIENCE -- Chemistry -- Clinical; Quantum & theoretical chemistry; Organic chemistry; Science; Chemistry -- Data processing; Expert systems (Computer science); Expertensystem -- Chemie; Chemie -- Expertensystem; Chemie; Datenverarbeitung; Expertensystem; Organic chemistry; Electronic books
• Languages: English
• ISBNs: 9781847559807; 1847559808
• Related ISBNs: 9780854041602; 0854041605
• Notes: Note: Includes bibliographical references and index.
• 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.