TY - JOUR
T1 - Computerised structural analysis of zeolitic networks
T2 - Conceptualisation of a zeolite scene through graphs comparison
AU - Latour, Thibaud
AU - Leherte, Laurence
AU - Vercauteren, Daniel
AU - Derouane, E.G.
N1 - Copyright 2007 Elsevier B.V., All rights reserved.
PY - 1994/10/1
Y1 - 1994/10/1
N2 - Molecular modelling techniques have demonstrated their power as helpful tools in the design of molecular sieves. Seeking to automate and optimise this step of the design process in the field of zeolite structure-property relationship studies, we present a computerised procedure for the acquisition of the visual perception of a zeolite three-dimensional structure, and the interpretation of the structure in terms of elementary structural units. The memorisation of the visual perception in a semantic network form, the prospects for its chemical interpretation and its usefulness in an artificial intelligence-oriented structure-property study, as if a 'seeing' computer, instead of the chemist, observes another computer screen, are presented. © 1994 ESCOM Science Publishers B.V.
AB - Molecular modelling techniques have demonstrated their power as helpful tools in the design of molecular sieves. Seeking to automate and optimise this step of the design process in the field of zeolite structure-property relationship studies, we present a computerised procedure for the acquisition of the visual perception of a zeolite three-dimensional structure, and the interpretation of the structure in terms of elementary structural units. The memorisation of the visual perception in a semantic network form, the prospects for its chemical interpretation and its usefulness in an artificial intelligence-oriented structure-property study, as if a 'seeing' computer, instead of the chemist, observes another computer screen, are presented. © 1994 ESCOM Science Publishers B.V.
UR - http://www.scopus.com/inward/record.url?scp=34249769891&partnerID=8YFLogxK
U2 - 10.1007/BF00712852
DO - 10.1007/BF00712852
M3 - Article
VL - 1
SP - 265
EP - 284
JO - Journal of computer-aided molecular design
JF - Journal of computer-aided molecular design
SN - 0920-654X
ER -