João Montargil Aires Sousa


AuthID: R-000-78Y

Confirmed Publications: 59



11
TITLE: Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information  Full Text
AUTHORS: Sushko, I; Pandey, AK; Novotarskyi, S; Korner, R; Rupp, M; Teetz, W; Brandmaier, S; Abdelaziz, A; Prokopenko, VV; Tanchuk, VY; Todeschini, R; Varnek, A; Marcou, G; Ertl, P; Potemkin, V; Grishina, M; Gasteiger, J; Baskin, II; Palyulin, VA; Radchenko, EV; Welsh, WJ; Kholodovych, V; Chekmarev, D; Cherkasov, A; Aires De Sousa, J ; Zhang, QY; Bender, A; Nigsch, F; Patiny, L; Williams, A; Tkachenko, V; Tetko, IV; ...More
PUBLISHED: 2011, SOURCE: Journal of Cheminformatics, VOLUME: 3, ISSUE: SUPPL. 1
INDEXED IN: Scopus CrossRef
IN MY: ORCID
12
TITLE: Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information  Full Text
AUTHORS: Sushko, I; Novotarskyi, S; Korner, R; Pandey, AK; Rupp, M; Teetz, W; Brandmaier, S; Abdelaziz, A; Prokopenko, VV; Tanchuk, VY; Todeschini, R; Varnek, A; Marcou, G; Ertl, P; Potemkin, V; Grishina, M; Gasteiger, J; Schwab, C; Baskin, II; Palyulin, VA; Radchenko, EV; Welsh, WJ; Kholodovych, V; Chekmarev, D; Cherkasov, A; Aires de Sousa, J ; Zhang, QY; Bender, A; Nigsch, F; Patiny, L; Williams, A; Tkachenko, V; Tetko, IV; ...More
PUBLISHED: 2011, SOURCE: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, VOLUME: 25, ISSUE: 6
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
13
TITLE: QSAR modeling of antitubercular activity of diverse organic compounds  Full Text
AUTHORS: Vasyl Kovalishyn; Joao Aires de Sousa ; Cristina Ventura ; Ruben Elvas Leitao; Filomena Martins ;
PUBLISHED: 2011, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 107, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
14
TITLE: Approach to Potential Energy Surfaces by Neural Networks. A Review of Recent Work  Full Text
AUTHORS: Diogo A R S Latino ; Rui P S Fartaria; Filomena F M Freitas; Joao Aires De Sousa ; Fernando M S S Silva Fernandes ;
PUBLISHED: 2010, SOURCE: 7th European Conference on Computational Chemistry in INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, VOLUME: 110, ISSUE: 2
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
15
TITLE: Combining Kohonen neural networks and variable selection by classification trees to cluster road soil samples  Full Text
AUTHORS: Gomez Carracedo, MP; Andrade, JM; Carrera, GVSM ; Aires de Sousa, J ; Carlosena, A; Prada, D;
PUBLISHED: 2010, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 102, ISSUE: 1
INDEXED IN: Scopus WOS
IN MY: ORCID | ResearcherID
16
TITLE: Comparing roadsoils pollution patterns extracted by MOLMAP and classical three-way decomposition methods  Full Text
AUTHORS: Gomez Carracedo, MP; Ballabio, D; Andrade, JM; Aires de Sousa, J ; Consonni, V;
PUBLISHED: 2010, SOURCE: ANALYTICA CHIMICA ACTA, VOLUME: 677, ISSUE: 1
INDEXED IN: Scopus WOS
IN MY: ORCID | ResearcherID
17
TITLE: Geographical classification of weathered crude oil samples with unsupervised self-organizing maps and a consensus criterion  Full Text
AUTHORS: Borges, C; Gomez Carracedo, MP; Andrade, JM; Duarte, MF ; Biscaya, JL; Aires de Sousa, J ;
PUBLISHED: 2010, SOURCE: CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, VOLUME: 101, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
18
19
TITLE: Assignment of EC Numbers to Enzymatic Reactions with MOLMAP Reaction Descriptors and Random Forests  Full Text
AUTHORS: Diogo A R S Latino ; Joao Aires de Sousa ;
PUBLISHED: 2009, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 49, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
20
TITLE: Machine learning of chemical reactivity from databases of organic reactions  Full Text
AUTHORS: Goncalo V S M Carrera ; Sunil Gupta; Joao Aires de Sousa ;
PUBLISHED: 2009, SOURCE: JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, VOLUME: 23, ISSUE: 7
INDEXED IN: Scopus WOS CrossRef
IN MY: ORCID | ResearcherID
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