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TITLE: Automatic assignment of absolute configuration from 1D NMR data  Full Text
AUTHORS: Zhang, QY; Carrera, GA ; Gomes, MJS; Aires De Sousa, J ;
PUBLISHED: 2005, SOURCE: JOURNAL OF ORGANIC CHEMISTRY, VOLUME: 70, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef
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TITLE: Prediction of enantio selectivity using chirality codes and Classification and Regression Trees  Full Text
AUTHORS: Caetano, S; Aires De Sousa, J ; Daszykowski, A; Heyden, YV;
PUBLISHED: 2005, SOURCE: 9th International Conference on Chemometrics in Analytical Chemistry in ANALYTICA CHIMICA ACTA, VOLUME: 544, ISSUE: 1-2
INDEXED IN: Scopus WOS CrossRef
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TITLE: Prediction of enantiomeric excess in a combinatorial library of catalytic enantioselective reactions
AUTHORS: Aires de Sousa, J ; Gasteiger, J;
PUBLISHED: 2005, SOURCE: JOURNAL OF COMBINATORIAL CHEMISTRY, VOLUME: 7, ISSUE: 2
INDEXED IN: Scopus WOS
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TITLE: Structure-based classification of chemical reactions without assignment of reaction centers  Full Text
AUTHORS: Zhang, QY; Aires de Sousa, J ;
PUBLISHED: 2005, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 45, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef
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TITLE: Chirality codes and molecular structure
AUTHORS: Aires De Sousa, J ; Gasteiger, J; Gutman, I; Vidovic, DI;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, VOLUME: 44, ISSUE: 3
INDEXED IN: Scopus WOS
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TITLE: Structure-based predictions of H-1 NMR chemical shifts of sesquiterpene lactones using neural networks  Full Text
AUTHORS: Da Costa, FB; Binev, Y; Gasteiger, J; Aires De Sousa, J ;
PUBLISHED: 2004, SOURCE: TETRAHEDRON LETTERS, VOLUME: 45, ISSUE: 37
INDEXED IN: Scopus WOS CrossRef
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TITLE: Structure-based predictions of H-1 NMR chemical shifts using feed-forward neural networks
AUTHORS: Binev, Y; Aires De Sousa, J ;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, VOLUME: 44, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef
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TITLE: The impact of available experimental data on the prediction of H-1 NMR chemical shifts by neural networks
AUTHORS: Binev, Y; Corvo, M; Aires De Sousa, J ;
PUBLISHED: 2004, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, VOLUME: 44, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef
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TITLE: Representation of DNA sequences with virtual potentials and their processing by (SEQREP) Kohonen self-organizing maps  Full Text
AUTHORS: Aires de Sousa, J ; Aires de Sousa, L;
PUBLISHED: 2003, SOURCE: BIOINFORMATICS, VOLUME: 19, ISSUE: 1
INDEXED IN: Scopus WOS
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