Man, machine and visual imagery in strategic synthesis planning: computer-perceived precursors for drug candidates.
This article provides a brief overview of methods for computer-perceived generation of precursors and starting materials to organic molecules. Emphasis is placed on software with validated performance in two main areas dealing with retrosynthetic analysis and heuristic perception of structural, functional and stereochemical similarities between target molecules and potential precursors. Applications to strategic syntheses of drug candidates are demonstrated.
Hanessian
Stephen
S
Université de Montréal, Department of Chemistry, CP 6128, Succursale Centre-ville, Montréal, Canada. stephen.hanessian@umontreal.ca
D017076:Computer-Aided Design; D015195:Drug Design; D009930:Organic Chemicals / Q000138:chemical synthesis / Q000737:chemistry*; D012984:Software
D009930:Organic Chemicals