The level of expertise of the submitting scientist ranged from novice to expert structure elucidation specialists with experience in pharmaceutical, industrial, government and academic environments.
The last part of the book, covering more than half of the total number of pages, is then dedicated to the structure elucidation expert system developed by the authors themselves called "Structure Elucidator".
Given that every human expert in structure elucidation will be biased by his or her own education, history of certain compound classes worked on, or types of spectroscopy used, CASE systems can be incredibly valuable by suggesting solutions to the structure elucidation problem outside of our range of experience.
Some of these key activities include collecting project background information prior to pursuing experimental work, asking the right questions, and meeting with project analysts and structure elucidation experts.
Our own work regarding the development of the expert system Structure Elucidator [23 30] will be used to demonstrate all stages of structure elucidation by modern computer-aided methods.
Indeed, a full explanation of experts disagreement needs an elucidation of all its extra-evidential components, both value judgements and biological background assumption, since these two are intimately connected (Longino 1990, Douglas 2000).
The present capabilities of 2D NMR expert systems to perform structure elucidation and verification was recently reviewed by Elyashberg et al [22].
This process can be carried out for several of the most likely structures produced during a structure elucidation by the expert system or performed on a chemical structure proposed by the chemist.
Authors: Elyashberg, Mikhail E., Williams, Antony J. Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator.
When there is a lack of the specific data needed to develop dose-response relations, but there are scientific experts with knowledge and experience pertinent to the elucidation of the information required, expert elicitation provides a means of acquiring and using this information so that consideration of dose-response relations can be initiated.
The results obtained during this period have been reviewed [11 13], and the general methodology of expert systems as tools for molecular structure elucidation have been reviewed by Elyashberg, et al. [14].
