Text

Computer-based structure elucidation from spectral data : the art of solving problems

---

Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure. Aspects covered include the main blocks of the expert system and essential features of the mathematical algorithms used. Graduate and PhD students as well as practicing chemists are provided with a detailed explanation of the various practical approaches depending on available spectral data peculiarities and the complexity of the unknown structure. This is supported by a large number of real-world completed examples, most of which are related to the structure elucidation of natural product molecules containing unusual skeletons. Dedicated software and further supplementary material are available at www.acdlabs.com/TeachingSE

---

Availability

No copy data

Detail Information

Series Title

Lecture Notes in Chemistry

Call Number

540

Publisher

Heidelberg : Springer., 2015

Collation

xvi, 447 pages

Language

English

ISBN/ISSN

9783662464021

Classification

540

Content Type

-

Media Type

-

Carrier Type

online resource

Edition

1

Subject(s)

Chemistry

Specific Detail Info

-

Statement of Responsibility

-

Other Information

Cataloger

Kurnadi

Source

-

Validator

-

Digital Object Identifier (DOI)

-

Journal Volume

-

Journal Issue

-

Subtitle

-

Parallel Title

-

Other version/related

File Attachment

Comments

---

You must be logged in to post a comment