ROBIA: a reaction prediction program.
A reaction prediction program, ROBIA, has been developed. This interactive computer program predicts the products of organic reactions from the starting materials and the reaction conditions, on the basis of the selected transformations within its database. This mechanistic approach generates a large number of products, from which the most important are selected using filters and molecular modeling calculations. The procedure has been applied to the possible biosynthesis pathway of dolabriferol. [reaction: see text]
Socorro
Ingrid M
IM
University Chemical Laboratory, Unilever Centre for Molecular Science Informatics, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.
Taylor
Keith
K
Goodman
Jonathan M
JM