Zobrazeno 1 - 10
of 83
pro vyhledávání: '"Annick Panaye"'
Publikováno v:
Bulletin des Sociétés Chimiques Belges. 98:31-44
In DARC PELCO topological correlations, each site contribution is individualized, and interaction terms are accurately identified, Topological filiations underlying such approaches very often reflect topographical filiations. We establish that a simp
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0eca3e16eaaa163f0b0668c84fdbc367
https://doi.org/10.1002/bscb.19890980104
https://doi.org/10.1002/bscb.19890980104
Publikováno v:
Bulletin des Sociétés Chimiques Belges. 94:909-917
LFER correlations are justified by similarity functions developed in Taylor series. In the same formalism of Palm-Leffler-Wold, we present here an equation expressing similarity relations based on information extracted from a model with a variable en
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::357316d5643b5d5381556646d324f123
https://doi.org/10.1002/bscb.19850941118
https://doi.org/10.1002/bscb.19850941118
Publikováno v:
Chinese Journal of Chemistry. 21:1268-1274
Structural elucidation (automatic determination of the structure of a molecule from its spectra) is frequently hampered by com-binatorial explosion when trying to assemble the identified sub-structures. We devised a new method which can avoid this pi
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5210834e07f6f10b1c466ed465747259
https://doi.org/10.1002/cjoc.20030211007
https://doi.org/10.1002/cjoc.20030211007
Autor:
Mancang Liu, Jean-Pierre Doucet, Ruisheng Zhang, Xiaojun Yao, Zhide Hu, Annick Panaye, Botao Fan
Publikováno v:
Chinese Journal of Chemistry. 21:1247-1251
The quantitative relationship between relative electrophoretic mobility in capillary electrophoresis for a series of 31 closely re-lated alkylpyridines and their molecular structures was studied by using CODESSA. According to the t-test on the result
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f4df644e973cc79f018b0f8cb32554ef
https://doi.org/10.1002/cjoc.20030211003
https://doi.org/10.1002/cjoc.20030211003
Autor:
Xiaojun Yao, Hai-Feng Chen, Annick Panaye, Ruisheng Zhang, Mancang Liu, Zhi De Hu, Jean-Pierre Doucet, Botao Fan
Publikováno v:
Analytica Chimica Acta. 535:259-273
The performance and predictive capability of support vector machine (SVM) and radial basis function neural network (RBFNN) for classification problems in QSAR/QSPR were investigated and compared with several other classification methods such as linea
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::e604967ece1077b2edf915574d220a8d
https://doi.org/10.1016/j.aca.2004.11.066
https://doi.org/10.1016/j.aca.2004.11.066
Autor:
Hai-Feng Chen, Botao Fan, Jean-Pierre Doucet, Annick Panaye, Shengang Yuan, Hairong Xia, Michel Petitjean
Publikováno v:
Spectroscopy Letters. 38:145-170
A new strategy for mass spectrum simulation is proposed based on the analysis of different reported techniques and developed software packages. This new strategy consists of using four pivot knowledge databases: functional groups, fragmentation pathw
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3adcf23d29a2aa23c1d6dab1268ebf5
https://doi.org/10.1081/sl-200049577
https://doi.org/10.1081/sl-200049577
Autor:
Annick Panaye, Hai-Feng Chen, Mancang Liu, Xiaojun Yao, Jean-Pierre Doucet, Bo Tao Fan, Ruisheng Zhang, Zhide Hu
Publikováno v:
Journal of Chemical Information and Computer Sciences. 44:1257-1266
Support vector machines (SVMs) were used to develop QSAR models that correlate molecular structures to their toxicity and bioactivities. The performance and predictive ability of SVM are investigated and compared with other methods such as multiple l
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::204143a1e321b4e512e0d3cdc3435e41
https://doi.org/10.1021/ci049965i
https://doi.org/10.1021/ci049965i
Autor:
Botao Fan, Hai-Feng Chen, Jean-Pierre Doucet, Michel Petitjean, Hairong Xia, Shengang Yuan, Feng Li, Annick Panaye
Publikováno v:
European Journal of Mass Spectrometry. 9:445-457
The use of the mass spectral simulation system, MASSIS, is reported and its performance has been evaluated. The search for substructures matching with fragments stored in four pivot databases was realised using the Ullmann algorithm. Special cleavage
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a240159e1c00806f284474515d0ceaf3
https://doi.org/10.1255/ejms.577
https://doi.org/10.1255/ejms.577
Publikováno v:
Applied Spectroscopy. 57:858-867
A new spectral code that can be used by Relational Database Management Systems (RDBMS) as an index for infrared (IR) spectra searches in Relational Database (RDB) is presented and its suitability is evaluated. Spectral codes are constructed for all s
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1eca79019325f02267a433a6189c4a7a
https://doi.org/10.1366/000370203322102960
https://doi.org/10.1366/000370203322102960
Autor:
Nadia El Fassi, Kun Gao, Rongliang Zheng, Bo Tao Fan, Krystyna Zakrzewska, Jean-Pierre Doucet, Zhong-Jian Jia, Annick Panaye, T. Couesnon
Publikováno v:
QSAR & Combinatorial Science. 22:18-28
Verbascoside and rutin possess anti-cancer properties and are capable of repairing DNA damaged by oxygen radicals, acting as powerful antioxidants. Based on kinetic measurements and experiments on tumor cells, docking studies of the two ligand molecu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::20ce0d68dd5ac7845c3dd803e77f74e9
https://doi.org/10.1002/qsar.200390002
https://doi.org/10.1002/qsar.200390002