New improvements in automatic structure elucidation using the LSD (Logic for Structure Determination) and the SISTEMAT expert systems.
This article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of small organic molecules. A first step has been achieved towards the linking of the SISTEMAT database with the LSD structure generator. The skeletal descriptions found by the SISTEMAT programs are now easily transferred to LSD as substructural constraints. Examples of the synergy between these expert systems are given for recently reported natural products.
UMR 6229, University of Reims, Moulin de la Housse, BP 1039, 51687 REIMS Cedex 2, France.
Bertrand
B
Plainchont
Jean-Marc
JM
Nuzillard
Gilberto V
GV
Rodrigues
Marcelo J P
MJ
Ferreira
Marcus T
MT
Scotti
Vicente P
VP
Emerenciano
D000465:Algorithms; D001688:Biological Products / Q000737:chemistry*; D002623:Chemistry Techniques, Analytical / Q000379:methods*; D016208:Databases, Factual; D008956:Models, Chemical; D015394:Molecular Structure; D012984:Software
D001688:Biological Products