João Aires-de-Sousa

7PUBLICATIONS
15CO-AUTHORS
Cheminformatics and quantitative structure-activity relationshipsPredictive and prognostic markersBiomolecular modelling and designProcess control and simulationNatural products and bioactive compounds
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Publications (7)

|Aug 14, 2026
Chiral atom-centered scalar triple products for predicting enantiomer elution order in HPLC.

|Jul 26, 2026
Synthesis and Biological Activity of Novel Aromatic Aminopropyl Lactams in Two Cancer Cell Models.

|Aug 29, 2024
Exploring Molecular Heteroencoders with Latent Space Arithmetic: Atomic Descriptors and Molecular Operators.

Xinyue Gao, Natalia Baimacheva, Joao Aires-de-Sousa

|Aug 05, 2022
Prediction of the Phase Composition Profile of Three-Compound Mixtures in Liquid-Liquid Equilibrium: A Chemoinformatics Approach.

Gonçalo V S M Carrera, Mariana L Cruz, Kyrylo Klimenko

|Dec 22, 2020
Machine Learning Classification of One-Chiral-Center Organic Molecules According to Optical Rotation.

Rafael Mamede, Bruno Simões de-Almeida, Mengyao Chen

|Nov 21, 2018
Synthesis of Pyridazine Derivatives by Suzuki-Miyaura Cross-Coupling Reaction and Evaluation of Their Optical and Electronic Properties through Experimental and Theoretical Studies.

Sara S M Fernandes, João Aires-de-Sousa, Michael Belsley

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Frequent Collaborators

1 joint publications

Michael Belsley

1 joint publications

M Manuela M Raposo

1 joint publications

Qingyou Zhang

1 joint publications

Gonçalo V S M Carrera