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51

Linking Databases of Chemical Reactions to NMR Data: an Exploration of 1 H NMR-Based Reaction Classification

Latino, Diogo A. R. S., Aires-de-Sousa, João

Journal:

Analytical Chemistry

Year:

2007

Language:

english

File:

PDF, 290 KB

english, 2007

52

Prediction of 1 H NMR Coupling Constants with Associative Neural Networks Trained for Chemical Shifts

Binev, Yuri, Marques, Maria M. B., Aires-de-Sousa, João

Journal:

Journal of Chemical Information and Modeling

Year:

2007

Language:

english

File:

PDF, 127 KB

english, 2007

53

Sonified Infrared Spectra and Their Interpretation by Blind and Visually Impaired Students

Pereira, Florbela, Ponte-e-Sousa, João C., Fartaria, Rui P. S., Bonifácio, Vasco D. B., Mata, Paulina, Aires-de-Sousa, Joao, Lobo, Ana M.

Journal:

Journal of Chemical Education

Year:

2013

Language:

english

File:

PDF, 231 KB

english, 2013

54

Physicochemical Stereodescriptors of Atomic Chiral Centers †

Zhang, Qing-You, Aires-de-Sousa, João

Journal:

Journal of Chemical Information and Modeling

Year:

2006

Language:

english

File:

PDF, 340 KB

english, 2006

55

A big data approach to the ultra-fast prediction of DFT-calculated bond energies

Xiaohui Qu, Diogo ARS Latino, Joao Aires-de-Sousa

Journal:

Journal of Cheminformatics

Year:

2013

Language:

english

File:

PDF, 392 KB

english, 2013

56

Estimation of Mayr Electrophilicity with a Quantitative Structure–Property Relationship Approach Using Empirical and DFT Descriptors

Pereira, Florbela, Latino, Diogo A. R. S., Aires-de-Sousa, Joao

Journal:

Journal of Organic Chemistry

Year:

2011

Language:

english

File:

PDF, 1.03 MB

english, 2011

57

Correction to Sonified Infrared Spectra and Their Interpretation by Blind and Visually Impaired Students

Pereira, Florbela, Ponte-e-Sousa, João C., Fartaria, Rui P. S., Bonifácio, Vasco D. B., Mata, Paulina, Aires-de-Sousa, Joao, Lobo, Ana M.

Journal:

Journal of Chemical Education

Year:

2013

Language:

english

File:

PDF, 245 KB

english, 2013

58

Random Forest Prediction of Mutagenicity from Empirical Physicochemical Descriptors

Zhang, Qing-You, Aires-de-Sousa, João

Journal:

Journal of Chemical Information and Modeling

Year:

2007

Language:

english

File:

PDF, 203 KB

english, 2007

59

Design, synthesis and biological evaluation of novel isoniazid derivatives with potent antitubercular activity

Martins, Filomena, Santos, Susana, Ventura, Cristina, Elvas-Leitão, Ruben, Santos, Lídia, Vitorino, Susana, Reis, Marina, Miranda, Vanessa, Correia, Henrique F., Aires-de-Sousa, João, Kovalishyn, Vasy

Journal:

European Journal of Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 3.08 MB

english, 2014

60

Check Your Biosignals Here: A new dataset for off-the-person ECG biometrics

da Silva, Hugo Plácido, Lourenço, André, Fred, Ana, Raposo, Nuno, Aires-de-Sousa, Marta

Journal:

Computer Methods and Programs in Biomedicine

Year:

2014

Language:

english

File:

PDF, 2.75 MB

english, 2014

61

Characterization of Staphylococcus aureus Isolates from Buffalo, Bovine, Ovine, and Caprine Milk Samples Collected in Rio de Janeiro State, Brazil

Aires-de-Sousa, M., Parente, C. E. S. R., Vieira-da-Motta, O., Bonna, I. C. F., Silva, D. A., de Lencastre, H.

Journal:

Applied and Environmental Microbiology

Year:

2007

Language:

english

File:

PDF, 221 KB

english, 2007

62

MOLinsight: A Web Portal for the Processing of Molecular Structures by Blind Students

Pereira, Florbela, Aires-de-Sousa, João, Bonifácio, Vasco D. B., Mata, Paulina, Lobo, Ana M.

Journal:

Journal of Chemical Education

Year:

2011

Language:

english

File:

PDF, 1.27 MB

english, 2011

63

Chirality Codes and Molecular Structure

Aires-de-Sousa, J., Gasteiger, J., Gutman, I., Vidovic, D.

Journal:

Journal of Chemical Information and Modeling

Year:

2004

Language:

english

File:

PDF, 158 KB

english, 2004

64

Assignment of EC Numbers to Enzymatic Reactions with MOLMAP Reaction Descriptors and Random Forests

Latino, Diogo A. R. S., Aires-de-Sousa, João

Journal:

Journal of Chemical Information and Modeling

Year:

2009

Language:

english

File:

PDF, 79 KB

english, 2009

65

Automatic Assignment of Absolute Configuration from 1D NMR Data

Zhang, Qing-You, Carrera, Gonçalo, Gomes, Mário J. S., Aires-de-Sousa, João

Journal:

Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 452 KB

english, 2005

66

Prediction of Enantiomeric Excess in a Combinatorial Library of Catalytic Enantioselective Reactions

Aires-de-Sousa, João, Gasteiger, Johann

Journal:

Journal of Combinatorial Chemistry

Year:

2005

Language:

english

File:

PDF, 105 KB

english, 2005

67

New Description of Molecular Chirality and Its Application to the Prediction of the Preferred Enantiomer in Stereoselective Reactions

Aires-de-Sousa, J., Gasteiger, J.

Journal:

Journal of Chemical Information and Modeling

Year:

2001

Language:

english

File:

PDF, 257 KB

english, 2001

68

Identification of the First Vancomycin Intermediate-Resistant Staphylococcus aureus (VISA) Isolate from a Hospital in Portugal

Gardete, S., Aires-De-Sousa, M., Faustino, A., Ludovice, A.M., de Lencastre, H.

Journal:

Microbial Drug Resistance

Year:

2008

Language:

english

File:

PDF, 3.89 MB

english, 2008

69

Estimation of melting points of pyridinium bromide ionic liquids with decision trees and neural networks

Carrera, Gon�alo, Aires-de-Sousa, Jo�o

Journal:

Green Chemistry

Year:

2005

Language:

english

File:

PDF, 512 KB

english, 2005

70

Staphylococcus aureus Nasal Carriage Among Patients and Health Care Workers in São Tomé and Príncipe

Conceição, Teresa, Santos Silva, Isabel, de Lencastre, Hermínia, Aires-de-Sousa, Marta

Journal:

Microbial Drug Resistance

Year:

2014

Language:

english

File:

PDF, 205 KB

english, 2014

71

Molecular Epidemiology and Risk Factors for Nasal Carriage of Staphylococcus aureus and Methicillin-Resistant S. aureus in Infants Attending Day Care Centers in Brazil

Lamaro-Cardoso, J., de Lencastre, H., Kipnis, A., Pimenta, F. C., Oliveira, L. S. C., Oliveira, R. M., Nouer, S. S., Aires-de-Sousa, M., Milheirico, C., Andrade, A. L. S.

Journal:

Journal of Clinical Microbiology

Year:

2009

Language:

english

File:

PDF, 650 KB

english, 2009

72

Genome-scale classification of metabolic reactions and assignment of EC numbers with self-organizing maps

Latino, D. A. R. S., Zhang, Q.-Y., Aires-de-Sousa, J.

Journal:

Year:

2008

Language:

english

File:

PDF, 524 KB

english, 2008

73

Changing Patterns in Frequency of Recovery of Five Methicillin-Resistant Staphylococcus aureus Clones in Portuguese Hospitals: Surveillance over a 16-Year Period

Aires-de-Sousa, M., Correia, B., de Lencastre, H.

Journal:

Journal of Clinical Microbiology

Year:

2008

Language:

english

File:

PDF, 343 KB

english, 2008

74

Staphylococcus aureus in former Portuguese colonies from Africa and the Far East: missing data to help fill the world map

Conceição, T., Coelho, C., Santos Silva, I., de Lencastre, H., Aires-de-Sousa, M.

Journal:

Clinical Microbiology and Infection

Year:

2015

Language:

english

File:

PDF, 664 KB

english, 2015

75

Comparison of DNA Sequencing of the Protein A Gene Polymorphic Region with Other Molecular Typing Techniques for Typing Two Epidemiologically Diverse Collections of Methicillin-Resistant Staphylococcus aureus

Oliveira, D. C., Crisostomo, I., Santos-Sanches, I., Major, P., Alves, C. R., Aires-de-Sousa, M., Thege, M. K., de Lencastre, H.

Journal:

Journal of Clinical Microbiology

Year:

2001

Language:

english

File:

PDF, 3.61 MB

english, 2001

76

Unusually High Prevalence of Nosocomial Panton-Valentine Leukocidin-Positive Staphylococcus aureus Isolates in Cape Verde Islands

Aires-de-Sousa, M., Conceicao, T., de Lencastre, H.

Journal:

Journal of Clinical Microbiology

Year:

2006

Language:

english

File:

PDF, 173 KB

english, 2006

77

High Interlaboratory Reproducibility of DNA Sequence-Based Typing of Bacteria in a Multicenter Study

Aires-de-Sousa, M., Boye, K., de Lencastre, H., Deplano, A., Enright, M. C., Etienne, J., Friedrich, A., Harmsen, D., Holmes, A., Huijsdens, X. W., Kearns, A. M., Mellmann, A., Meugnier, H., Rasheed,

Journal:

Journal of Clinical Microbiology

Year:

2006

Language:

english

File:

PDF, 50 KB

english, 2006

78

Representation of DNA sequences with virtual potentials and their processing by (SEQREP) Kohonen self-organizing maps

Aires-de-Sousa, J., Aires-de-Sousa, L.

Journal:

Year:

2003

Language:

english

File:

PDF, 105 KB

english, 2003

79

Frequent occurrence of oxacillin-susceptible mecA -positive Staphylococcus aureus (OS-MRSA) strains in two African countries: Table 1.

T. Conceição, C. Coelho, H. De Lencastre, M. Aires-de-sousa

Year:

2015

Language:

english

File:

PDF, 157 KB

english, 2015

80

Methicillin-Resistant Staphylococcus aureus in the Community in Luanda, Angola: Blurred Boundaries with the Hospital Setting

Conceição, Teresa, Coelho, Céline, Santos Silva, Isabel, de Lencastre, Hermínia, Aires-de-Sousa, Marta

Journal:

Microbial Drug Resistance

Year:

2015

Language:

english

File:

PDF, 132 KB

english, 2015

81

High Prevalence of Biocide Resistance Determinants in Staphylococcus aureus Isolates from Three African Countries

Conceição, Teresa, Coelho, Céline, de Lencastre, Hermínia, Aires-de-Sousa, Marta

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2016

Language:

english

File:

PDF, 607 KB

english, 2016

82

Heterogeneous oxacillin-resistant phenotypes and production of PBP2A by oxacillin-susceptible/ mecA -positive MRSA strains from Africa

Chung, Marilyn, Kim, Choon Keun, Conceição, Teresa, Aires-De-Sousa, Marta, De Lencastre, Hermínia, Tomasz, Alexander

Journal:

Journal of Antimicrobial Chemotherapy

Year:

2016

Language:

english

File:

PDF, 324 KB

english, 2016

83

ChemInform Abstract: Physico-Chemical Properties of Task-Specific Ionic Liquids

Branco, Luis C., Carrera, Goncalo V. S. M., Aires-de-Sousa, Joao, Martin, Ignacio Lopez, Frade, Raquel, Afonso, Carlos A. M.

Journal:

Year:

2013

File:

PDF, 18 KB

2013

84

Machine Learning Estimation of Atom Condensed Fukui Functions

Zhang, Qingyou, Zheng, Fangfang, Zhao, Tanfeng, Qu, Xiaohui, Aires-de-Sousa, João

Journal:

Molecular Informatics

Year:

2016

Language:

english

File:

PDF, 732 KB

english, 2016

85

High prevalence of carbapenemase-producing Enterobacteriaceae among hospitalized children in Luanda, Angola

Kieffer, Nicolas, Nordmann, Patrice, Aires-de-Sousa, Marta, Poirel, Laurent

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2016

Language:

english

File:

PDF, 514 KB

english, 2016

86

MRSA among animals: current overview

Aires-de-Sousa, Marta

Journal:

Clinical Microbiology and Infection

Year:

2016

Language:

english

File:

PDF, 978 KB

english, 2016

87

Machine Learning Methods to Predict Density Functional Theory B3LYP Energies of HOMO and LUMO Orbitals

Pereira, Florbela, Xiao, Kaixia, Latino, Diogo A. R. S., Wu, Chengcheng, Zhang, Qingyou, Aires-de-Sousa, Joao

Journal:

Journal of Chemical Information and Modeling

Year:

2017

Language:

english

File:

PDF, 1.49 MB

english, 2017

88

Frequent occurrence of trimethoprim-sulfamethoxazole hetero-resistant Staphylococcus aureus isolates in different African countries

Coelho, C., de Lencastre, H., Aires-de-Sousa, M.

Journal:

European Journal of Clinical Microbiology & Infectious Diseases

Year:

2017

Language:

english

File:

PDF, 1.06 MB

english, 2017

89

Healthy Bovines as Reservoirs of Major Pathogenic Lineages of Staphylococcus aureus in Portugal

Conceição, Teresa, de Lencastre, Hermínia, Aires-de-Sousa, Marta

Journal:

Microbial Drug Resistance

Year:

2017

Language:

english

File:

PDF, 197 KB

english, 2017

90

Theoretical and experimental studies of aryl-bithiophene based push-pull π-conjugated heterocyclic systems bearing cyanoacetic or rhodanine-3-acetic acid acceptors for SHG nonlinear optical applications

Fernandes, Sara S.M., Herbivo, Cyril, Aires-de-Sousa, João, Comel, Alain, Belsley, Michael, Raposo, M. Manuela M.

Journal:

Dyes and Pigments

Year:

2017

Language:

english

File:

PDF, 1.62 MB

english, 2017

91

High rate of association of 16S rRNA methylases and carbapenemases in Enterobacteriaceae recovered from hospitalized children, Angola

Poirel, Laurent, Goutines, Juliette, Aires-de-Sousa, Marta, Nordmann, Patrice

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2018

Language:

english

File:

PDF, 777 KB

english, 2018

92

Exploration of automatic learning to establish relationships between the molecular structure of chiral ionic liquids and the specific optical rotation

Chen, Mengyao, Xiao, Kaixia, Zhao, Tanfeng, Zhou, Yanmei, Zhang, Qingyou, Aires-de-Sousa, Joao

Journal:

Journal of Molecular Liquids

Year:

2018

Language:

english

File:

PDF, 2.41 MB

english, 2018

93

NavMol 3.0: enabling the representation of metabolic reactions by blind users

Binev, Yuri, Peixoto, Daniela, Pereira, Florbela, Rodrigues, Ian, Cavaco, Sofia, Lobo, Ana M, Aires-de-Sousa, João

Journal:

Year:

2018

Language:

english

File:

PDF, 129 KB

english, 2018

94

Evaluation of Different Screening Methodologies for the Detection of Methicillin-Resistant Staphylococcus aureus from Environmental Surfaces: Swabs, Gauzes, and Polywipes

Aires-de-Sousa, Marta, Rodrigues, Suzilaine, Conceição, Teresa, de Lencastre, Herminia

Journal:

Microbial Drug Resistance

Year:

2018

Language:

english

File:

PDF, 105 KB

english, 2018

95

High Prevalence of EMRSA-15 in Portuguese Public Buses: A Worrisome Finding

Simões, Roméo Rocha, Aires-de-Sousa, Marta, Conceição, Teresa, Antunes, Filipa, da Costa, Paulo Martins, de Lencastre, Hermínia, Otto, Michael

Journal:

Year:

2011

Language:

english

File:

PDF, 135 KB

english, 2011

96

Fragmentation pattern of amides by EI and HRESI: study of protonation sites using DFT-3LYP data

Fokoue, H. H., Marques, J. V., Correia, M. V., Yamaguchi, L. F., Qu, X., Aires-de-Sousa, J., Scotti, M. T., Lopes, N. P., Kato, M. J.

Journal:

Year:

2018

Language:

english

File:

PDF, 478 KB

english, 2018

97

Computational Methodologies in the Exploration of Marine Natural Product Leads

Pereira, Florbela, Aires-de-Sousa, Joao

Journal:

Year:

2018

Language:

english

File:

PDF, 5.08 MB

english, 2018

98

High Rate of MCR-1–Producing Escherichia coli and Klebsiella pneumoniae among Pigs, Portugal

Kieffer, Nicolas, Aires-de-Sousa, Marta, Nordmann, Patrice, Poirel, Laurent

Journal:

Emerging Infectious Diseases

Year:

2017

Language:

english

File:

PDF, 772 KB

english, 2017

99

Synthesis of Pyridazine Derivatives by Suzuki-Miyaura Cross-Coupling Reaction and Evaluation of Their Optical and Electronic Properties through Experimental and Theoretical Studies

Fernandes, Sara, Aires-de-Sousa, João, Belsley, Michael, Raposo, M.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.54 MB

english, 2018

100

Novel coating containing molybdenum oxide nanoparticles to reduce Staphylococcus aureus contamination on inanimate surfaces

Piçarra, Susana, Lopes, Elizeth, Almeida, Pedro L., de Lencastre, Hermínia, Aires-de-Sousa, Marta, Mishra, Yogendra Kumar

Journal:

Year:

2019

Language:

english

File:

PDF, 1.91 MB

english, 2019