Biomedical subjects
Publications and source records attributed to Jonathan M Goodman.
Saturated acyclic alkanes may show a high degree of strain if they have many branches close to each other. We report calculations which indicate how strained a molecule may become before it falls apart rapidly at room temperature and so allow us to identify the simplest alkane which cannot be made.
A program to predict organic reactions, ROBIA, has been developed. It achieves reaction prediction on the basis of coded rules and molecular modeling calculations, generating possible transition states, intermediates, and products given the starting material and reaction conditions. The program generates all possible reaction pathways, on the basis of the selected transformations within its database, and evaluates them selecting the most feasible ones. The program has been successfully tested against several examples.