João Montargil Aires Sousa
AuthID: R-000-78Y
1
TITLE: Exploring Molecular Heteroencoders with Latent Space Arithmetic: Atomic Descriptors and Molecular Operators Full Text
AUTHORS: Gao, Xinyue; Baimacheva, Natalia; Aires de Sousa, Joao;
PUBLISHED: 2024, SOURCE: MOLECULES, VOLUME: 29, ISSUE: 16
AUTHORS: Gao, Xinyue; Baimacheva, Natalia; Aires de Sousa, Joao;
PUBLISHED: 2024, SOURCE: MOLECULES, VOLUME: 29, ISSUE: 16
2
TITLE: GUIDEMOL: A Python graphical user interface for molecular descriptors based on RDKit
AUTHORS: Aires de Sousa, Joao;
PUBLISHED: 2023, SOURCE: MOLECULAR INFORMATICS, VOLUME: 43, ISSUE: 1
AUTHORS: Aires de Sousa, Joao;
PUBLISHED: 2023, SOURCE: MOLECULAR INFORMATICS, VOLUME: 43, ISSUE: 1
3
TITLE: GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit
AUTHORS: Joao Aires-de-Sousa;
PUBLISHED: 2023
AUTHORS: Joao Aires-de-Sousa;
PUBLISHED: 2023
4
TITLE: Prediction of the Phase Composition Profile of Three-Compound Mixtures in Liquid-Liquid Equilibrium: A Chemoinformatics Approach Full Text
AUTHORS: Carrera, Goncalo V. S. M.; Cruz, Mariana L.; Klimenko, Kyrylo; Esperanca, Jose M. S. S.; Aires de Sousa, Joao;
PUBLISHED: 2022, SOURCE: CHEMPHYSCHEM, VOLUME: 23, ISSUE: 24
AUTHORS: Carrera, Goncalo V. S. M.; Cruz, Mariana L.; Klimenko, Kyrylo; Esperanca, Jose M. S. S.; Aires de Sousa, Joao;
PUBLISHED: 2022, SOURCE: CHEMPHYSCHEM, VOLUME: 23, ISSUE: 24
5
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 WOS6
TITLE: 14th Edition of the Nacional Organic Chemistry Meeting and 7th Edition of the Nacional Therapeutic Chemistry Meeting
AUTHORS: Florbela Pereira; Ana Lourenço; João Aires de Sousa; Luísa M. Ferreira; M. Manuel B. Marques; Emília Sousa ; Paula S. Branco;
PUBLISHED: 2022, SOURCE: Stand Alone Papers 2022
AUTHORS: Florbela Pereira; Ana Lourenço; João Aires de Sousa; Luísa M. Ferreira; M. Manuel B. Marques; Emília Sousa ; Paula S. Branco;
PUBLISHED: 2022, SOURCE: Stand Alone Papers 2022
7
TITLE: Alkylated monoterpene indole alkaloid derivatives as potent P-glycoprotein inhibitors in resistant cancer cells
AUTHORS: Cardoso, DSP; Kincses, A; Nove, M; Spengler, G; Mulhovo, S; Aires de Sousa, J; dos Santos, DJVA; Ferreira, MJU;
PUBLISHED: 2021, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 210
AUTHORS: Cardoso, DSP; Kincses, A; Nove, M; Spengler, G; Mulhovo, S; Aires de Sousa, J; dos Santos, DJVA; Ferreira, MJU;
PUBLISHED: 2021, SOURCE: EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, VOLUME: 210
8
TITLE: Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical Rotation
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
9
TITLE: SelinfDB: A Database of Selectivity at Infinite Dilution for Liquid- Liquid Extraction
AUTHORS: Klimenko, K; Ines, JM; Esperanca, JMSS; Aires de Sousa, J; Carrera, GVSM;
PUBLISHED: 2021, SOURCE: INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, VOLUME: 60, ISSUE: 22
AUTHORS: Klimenko, K; Ines, JM; Esperanca, JMSS; Aires de Sousa, J; Carrera, GVSM;
PUBLISHED: 2021, SOURCE: INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH, VOLUME: 60, ISSUE: 22
10
TITLE: Machine learning prediction of UV-Vis spectra features of organic compounds related to photoreactive potential
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
