Documentation scienceplus.abes.fr version Bêta

À propos de : The ROBIA Program for Predicting Organic Reactivity        

AttributsValeurs
type
Is Part Of
Subject
Title
  • The ROBIA Program for Predicting Organic Reactivity
has manifestation of work
related by
Author
Abstract
  • A program to predict organic reactions, ROBIA, has been developed. It achieves reaction prediction on thebasis 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 reactionpathways, on the basis of the selected transformations within its database, and evaluates them selecting themost feasible ones. The program has been successfully tested against several examples.
article type
is part of this journal



Alternative Linked Data Documents: ODE     Content Formats:       RDF       ODATA       Microdata