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Article: The CAChe chemical reactivity modelling system V 3.0. (Software Review) (Evaluation)
- Article from:
- Chemistry and Industry
- Article date:
- November 2, 1992
- Author:
CopyrightCOPYRIGHT 1992 Society of Chemical Industry. This material is published under license from the publisher through the Gale Group, Farmington Hills, Michigan. All inquiries regarding rights should be directed to the Gale Group. (Hide copyright information)
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The contemporary chemical modeller appears to be spoilt for choice. New user-friendly packages for all manner of computers are now appearing almost monthly. This modern abundance of choice has introduced a minor crisis regarding the scientific quality, reproducibility and focus of the results produced using such programs.
Are these systems only educational tools, are they intended as 'soft' modelling in which a form of M*A*S*H-style triage is used in a laboratory environment but which is perhaps not intended for peer review, or is their purpose that of 'hard' modelling in which novel concepts or insights are to be developed and submitted for publication in primary ...