Contemporary computer-assisted approaches to molecular structure elucidation. (2015)

• Record Type: Book
• Further Information: Note: Antony Williams, Mikhail Elyashberg and Kirill Blinov.
• Other Names: Williams, Antony; Elyashberg, Mikhail; Blinov, Kirill
• Contents: Foreword; Introduction;An Introduction to general CASE Principles; Axiomatic Approaches to Structure Elucidation; NMR Spectrum Prediction and Structure Confirmation; Knowledge bases and their application to CASE; Data processing, preparation and input; Generating Molecular Connectivities from Spectral Data; Approaches to Algorithmic Structure Generation; The Challenges of Non-Standard Spectral Responses; Algorithmic Determination of Relative Stereochemistry; Applications of CASE to real world examples; Applications of CASE systems to structure revision - algorithms and humans, the need for synergistic collaboration; An Evaluation of the performance of modern CASE systems - Structure Elucidator; Comparisons of Systematic CASE Systems Versus Traditional Approaches; A Vision of the Future of CASE Systems; Conclusions
• Publisher Details: Cambridge : Royal Society of Chemistry
• Publication Date: 2015
• Extent: 1 online resource
• Subjects: 541.220113; Molecular structure -- Computer simulation
• Languages: English
• ISBNs: 9781782625766; 1782625763
• 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.