João Montargil Aires Sousa
AuthID: R-000-78Y
1
TITLE: GUIDEMOL: A Python graphical user interface for molecular descriptors based on RDKit Full Text
AUTHORS: Aires de Sousa, Joao;
PUBLISHED: 2023, SOURCE: MOLECULAR INFORMATICS
AUTHORS: Aires de Sousa, Joao;
PUBLISHED: 2023, SOURCE: MOLECULAR INFORMATICS
INDEXED IN: 
Scopus 
WOS
Scopus WOS2
TITLE: Machine Learning to Predict Homolytic Dissociation Energies of C-H Bonds: Calibration of DFT-based Models with Experimental Data Full Text
AUTHORS: Li, Wanli; Luan, Yue; Zhang, Qingyou; Aires de Sousa, Joao;
PUBLISHED: 2022, SOURCE: MOLECULAR INFORMATICS
AUTHORS: Li, Wanli; Luan, Yue; Zhang, Qingyou; Aires de Sousa, Joao;
PUBLISHED: 2022, SOURCE: MOLECULAR INFORMATICS
INDEXED IN: Scopus WOS
Scopus WOS3
TITLE: Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical Rotation Full Text
AUTHORS: Mamede, R; de Almeida, BS; Chen, MY; Zhang, QY; Aires de Sousa, J;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 61, ISSUE: 1
AUTHORS: Mamede, R; de Almeida, BS; Chen, MY; Zhang, QY; Aires de Sousa, J;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 61, ISSUE: 1
INDEXED IN: Scopus WOS
Scopus WOS4
TITLE: Machine learning prediction of UV-Vis spectra features of organic compounds related to photoreactive potential Full Text
AUTHORS: Mamede, R; Pereira, F; Aires de Sousa, J;
PUBLISHED: 2021, SOURCE: SCIENTIFIC REPORTS, VOLUME: 11, ISSUE: 1
AUTHORS: Mamede, R; Pereira, F; Aires de Sousa, J;
PUBLISHED: 2021, SOURCE: SCIENTIFIC REPORTS, VOLUME: 11, ISSUE: 1
INDEXED IN: Scopus WOS
Scopus WOS5
TITLE: Machine learning to predict the specific optical rotations of chiral fluorinated molecules Full Text
AUTHORS: Mengyao Y Chen; Ting Wua; Kaixia X Xiaoa; Tanfeng F Zhao; Yanmei M Zhoua; Qingyou Y Zhang; Joao Aires de Sousa;
PUBLISHED: 2019, SOURCE: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, VOLUME: 223
AUTHORS: Mengyao Y Chen; Ting Wua; Kaixia X Xiaoa; Tanfeng F Zhao; Yanmei M Zhoua; Qingyou Y Zhang; Joao Aires de Sousa;
PUBLISHED: 2019, SOURCE: SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, VOLUME: 223
INDEXED IN: Scopus WOS
Scopus WOS6
TITLE: NavMol 3.0: enabling the representation of metabolic reactions by blind users Full Text
AUTHORS: Yuri Binev; Daniela Peixoto; Florbela Pereira; Ian Rodrigues; Sofia Cavaco; Ana M Lobo; Joao Aires de Sousa;
PUBLISHED: 2018, SOURCE: BIOINFORMATICS, VOLUME: 34, ISSUE: 1
AUTHORS: Yuri Binev; Daniela Peixoto; Florbela Pereira; Ian Rodrigues; Sofia Cavaco; Ana M Lobo; Joao Aires de Sousa;
PUBLISHED: 2018, SOURCE: BIOINFORMATICS, VOLUME: 34, ISSUE: 1
INDEXED IN: Scopus WOS
Scopus WOS7
TITLE: Exploration of automatic learning to establish relationships between the molecular structure of chiral ionic liquids and the specific optical rotation Full Text
AUTHORS: Mengyao Y Chen; Kaixia X Xiao; Tanfeng F Zhao; Yanmei M Zhou; Qingyou Y Zhang; Joao Aires de Sousa;
PUBLISHED: 2018, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 254
AUTHORS: Mengyao Y Chen; Kaixia X Xiao; Tanfeng F Zhao; Yanmei M Zhou; Qingyou Y Zhang; Joao Aires de Sousa;
PUBLISHED: 2018, SOURCE: JOURNAL OF MOLECULAR LIQUIDS, VOLUME: 254
INDEXED IN: Scopus WOS
Scopus WOS8
TITLE: Computational Methodologies in the Exploration of Marine Natural Product Leads Full Text
AUTHORS: Florbela Pereira; Joao Aires de Sousa;
PUBLISHED: 2018, SOURCE: MARINE DRUGS, VOLUME: 16, ISSUE: 7
AUTHORS: Florbela Pereira; Joao Aires de Sousa;
PUBLISHED: 2018, SOURCE: MARINE DRUGS, VOLUME: 16, ISSUE: 7
INDEXED IN: Scopus WOS
Scopus WOS9
TITLE: Machine learning for the prediction of molecular dipole moments obtained by density functional theory Full Text
AUTHORS: Florbela Pereira; Joao Aires de Sousa;
PUBLISHED: 2018, SOURCE: JOURNAL OF CHEMINFORMATICS, VOLUME: 10, ISSUE: 1
AUTHORS: Florbela Pereira; Joao Aires de Sousa;
PUBLISHED: 2018, SOURCE: JOURNAL OF CHEMINFORMATICS, VOLUME: 10, ISSUE: 1
INDEXED IN: Scopus WOS
Scopus WOS10
TITLE: Synthesis of Pyridazine Derivatives by Suzuki-Miyaura Cross-Coupling Reaction and Evaluation of Their Optical and Electronic Properties through Experimental and Theoretical Studies Full Text
AUTHORS: Sara S M Fernandes; Joao Aires de Sousa; Michael Belsley; Manuela M M Raposo;
PUBLISHED: 2018, SOURCE: MOLECULES, VOLUME: 23, ISSUE: 11
AUTHORS: Sara S M Fernandes; Joao Aires de Sousa; Michael Belsley; Manuela M M Raposo;
PUBLISHED: 2018, SOURCE: MOLECULES, VOLUME: 23, ISSUE: 11
INDEXED IN: Scopus WOS
Scopus WOS