31
TITLE: Random forest prediction of mutagenicity from empirical physicochemical descriptors  Full Text
AUTHORS: Qing You Zhang; Joao Aires de Sousa ;
PUBLISHED: 2007, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 47, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
32
TITLE: A chemoinformatics approach to the classification of enzymatic reactions
AUTHORS: Joao Aires de Sousa ; Diogo A R S Latino ;
PUBLISHED: 2006, SOURCE: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 232
INDEXED IN: WOS
33
TITLE: CINF 104-Classification of organic and bio-organic reactions with MOLMAP physicochemical descriptors
AUTHORS: Joao Aires de Sousa ; Sunil Gupta; Diogo A R S Latino ; Qing You Zhang;
PUBLISHED: 2006, SOURCE: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 232
INDEXED IN: WOS
34
TITLE: Estimating 1H NMR coupling constants with ANN models for chemical shifts: Spectra simulation in the SPINUS system
AUTHORS: Joao Aires de Sousa ; Yuri Binev;
PUBLISHED: 2006, SOURCE: 231st National Meeting of the American-Chemical-Society in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 231
INDEXED IN: WOS
35
TITLE: Genome-scale classification of metabolic reactions without assignment of reaction centers
AUTHORS: Joao Aires de Sousa ; Diogo A R S Latino ;
PUBLISHED: 2006, SOURCE: 231st National Meeting of the American-Chemical-Society in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 231
INDEXED IN: WOS
36
TITLE: Genome-scale classification of metabolic reactions: A chemoinformatics approach  Full Text
AUTHORS: Latino, DARS ; Aires de Sousa, J ;
PUBLISHED: 2006, SOURCE: ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, VOLUME: 45, ISSUE: 13
INDEXED IN: Scopus WOS CrossRef
37
TITLE: Geographical classification of crude oils by Kohonen self-organizing maps  Full Text
AUTHORS: Fonseca, AM; Biscaya, JL; Aires De Sousa, J ; Lobo, AM ;
PUBLISHED: 2006, SOURCE: ANALYTICA CHIMICA ACTA, VOLUME: 556, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
38
TITLE: In silico prediction of mutagenicity using molecular maps of atom-level properties (MOLMAPs) and empirical physicochemical descriptors
AUTHORS: Joao Aires de Sousa ; Qing You Zhang;
PUBLISHED: 2006, SOURCE: 231st National Meeting of the American-Chemical-Society in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, VOLUME: 231
INDEXED IN: WOS
39
TITLE: Physicochemical stereodescriptors of atomic chiral centers  Full Text
AUTHORS: Qing You Zhang; Joao Aires de Sousa ;
PUBLISHED: 2006, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 46, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef
40
TITLE: QSAR analysis of phenolic antioxidants using MOLMAP descriptors of local properties  Full Text
AUTHORS: Gupta, S; Matthew, S; Abreu, PM ; Aires de Sousa, J ;
PUBLISHED: 2006, SOURCE: BIOORGANIC & MEDICINAL CHEMISTRY, VOLUME: 14, ISSUE: 4
INDEXED IN: Scopus WOS CrossRef
Page 4 of 6. Total results: 59.