Systematic study into the salt formation of functionalised organic substrates


Ward, S. C., Hursthouse, M. B., Woods, D. C. and Lewis, S. M., (2003) Systematic study into the salt formation of functionalised organic substrates Cox, S. J. (ed.) In Proceedings of UK e-Science All Hands Meeting. Engineering and Physical Sciences Research Council. 4 pp, pp. 208-211.

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Description/Abstract

The objective of this ongoing work is to perform a detailed systematic study of organic salt formation through a series of designed experiments. We have identified a set of descriptors that describe molecular properties relevant to salt formation. For the initial experiments, a collection of salt forming acids have been assembled using the Cambridge Structural Database and their descriptor values have been calculated. These acids define a chemical space from which the compounds for the first experiments can be chosen. The experiments aim to explore this chemical space whilst building statistical models that will allow a better understanding of how the descriptors affect salt formation.

Item Type: Conference or Workshop Item (Paper)
ISBNs: 1904425119 (print)
Venue - Dates: UK e-Science All Hands Meeting, 2003-09-02 - 2003-09-04
Subjects:

Organisations: Statistics
ePrint ID: 15855
Date :
Date Event
2003Published
Date Deposited: 06 Jun 2005
Last Modified: 16 Apr 2017 23:26
Further Information:Google Scholar
URI: http://eprints.soton.ac.uk/id/eprint/15855

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