The Synthetic Organic Program continues to support the research of Dr. William L. Jorgensen of the Department of Chemistry at Yale University. His research is concerned with the interactive computer program, CAMEO, which is being developed to predict the products of organic reactions given starting materials and conditions. The program uses mechanistic principles for broad classes of reactions to make its predictions. The intent is for CAMEO to mimic the logical processes of a synthetic organic chemist as closely as possible. Consequently, an important aspect of the project is to identify the logic and cast it in terms of fundamental organizing principles governing organic reactions in addition to developing a tool to aid in the design of organic syntheses. The classes of reactions that have been implemented cover (1) base catalyzed processes, organometallic reactions, ylide chemistry and organosilicon chemistry, (2) electrophilic processes involving carbonium ions as intermediates including electrophilic aromatic substitution, and (3) pericyclic reactions, i.e., cycloadditions, electrocyclic processes and sigmatropic rearrangements. Improved treatment of heterocyclic chemistry is planned as well as new modules for the creation and reactions of carbenes, nitrenes, and free radicals. Standard oxidations and reductions of functional groups will also be implemented along with features to improve feedback to the user.

Agency
National Science Foundation (NSF)
Institute
Division of Chemistry (CHE)
Type
Standard Grant (Standard)
Application #
9015201
Program Officer
George M. Rubottom
Project Start
Project End
Budget Start
1990-07-01
Budget End
1991-12-31
Support Year
Fiscal Year
1990
Total Cost
$83,322
Indirect Cost
Name
Yale University
Department
Type
DUNS #
City
New Haven
State
CT
Country
United States
Zip Code
06520