Zobrazeno 1 - 10
of 19
pro vyhledávání: '"Gérard Kaufmann"'
Publikováno v:
European Journal of Organic Chemistry. 2003:1983-1992
COSYMA is a computer program whose use is to suggest synthesis strategies for complex organic molecules. During a learning stage, which has been presented in previous papers, strategies (sequences of key reaction steps) are automatically extracted fr
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::654302e533abd112e12b88aedc16ba26
https://doi.org/10.1002/ejoc.200200571
https://doi.org/10.1002/ejoc.200200571
Publikováno v:
Tetrahedron Letters. 39:9007-9010
The synthesis of molecular mill 4 has been achieved by condensing the dibromomethyl derivative of a calix[4]- bis -crown 1 with naphtho polyether diol 2 in high dilution conditions.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::d0a9347cd3e05a4cdd468e8b77bf25d9
https://doi.org/10.1016/s0040-4039(98)02066-8
https://doi.org/10.1016/s0040-4039(98)02066-8
Publikováno v:
Tetrahedron Letters. 37:3325-3328
The syntheses of molecular ‘mappemondes’ 10–12 have been designed from a calix[4]- bis -crown. The assembling of molecular segments toward 10–12 has been assisted by molecular modelling.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a5fe6101bd7fcd2601677de00825f701
https://doi.org/10.1016/0040-4039(96)00568-0
https://doi.org/10.1016/0040-4039(96)00568-0
Publikováno v:
Recueil des Travaux Chimiques des Pays-Bas. 112:503-506
A new approach to computer-assisted design of organic synthesis is proposed with the COSYMA system. This system was described in a previous paper. It is based on adaptation of a registered synthesis strategy to the structure of a new target molecule.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::941c5feec0d8fdbdb03b4a26d1732c01
https://doi.org/10.1002/recl.19931120904
https://doi.org/10.1002/recl.19931120904
Publikováno v:
Tetrahedron Computer Methodology. 3:323-333
This paper sets the bases of a new project for machine learning of generic reactions, starting from examples described in the literature. This project aims at resolving the difficulty of building large and coherent knowledge bases for Computer-Assist
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cbb63c44268870ff663b7899ef024c8c
https://doi.org/10.1016/0898-5529(90)90059-h
https://doi.org/10.1016/0898-5529(90)90059-h
Publikováno v:
Tetrahedron Computer Methodology. 3:335-349
This paper discusses the requirements a computer representation of organic reactions should satisfy in order to be adapted to the machine learning of generic reactions. Existing formalisms are classified and analyzed in relation with their characteri
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9a184838f5a607e0f4cf5590862ee084
https://doi.org/10.1016/0898-5529(90)90060-l
https://doi.org/10.1016/0898-5529(90)90060-l
Publikováno v:
Tetrahedron Computer Methodology. 3:351-358
In the context of automatic knowledge acquisition for computer-assisted synthesis planning, this paper presents an efficient algorithm for the identification of the maximal common substructures between reaction graphs. The terms of the problem are fi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::ba7d572bf721c76bbe2b0966b499176e
https://doi.org/10.1016/0898-5529(90)90061-c
https://doi.org/10.1016/0898-5529(90)90061-c
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::67d4ae623c9d1cf6fae5ac3aaf4c8632
https://doi.org/10.1063/1.47761
https://doi.org/10.1063/1.47761
Autor:
Gérard Kaufmann, Ph. Jauffret, L. Ellermann, E. Gruber, T. Fang, J. F. Marchaland, Th. Hanser
Publikováno v:
AIP Conference Proceedings.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a623154b89884952976d6b43d77cf61f
https://doi.org/10.1063/1.47762
https://doi.org/10.1063/1.47762
Publikováno v:
Chemical Information 2 ISBN: 9783540531999
The reasonings in organic synthesis often are of analogical type: try to adapt to a new situation, processes already described in previous cases. This is easily conceivable, if one considers there are, in chemistry, few general rules without exceptio
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f049868aedeefc4bcd06abdf6df2bf01
https://doi.org/10.1007/978-3-642-85872-7_1
https://doi.org/10.1007/978-3-642-85872-7_1
