Filipe Teixeira

University of Minho — Portugal

Computer Science · Physical Sciences

13h-index667citations61works2.82yr avg
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Research Topics

Computational Drug Discovery Methods(8), Advanced Chemical Physics Studies(7), Machine Learning in Materials Science(7), Metal complexes synthesis and properties(5), Crystallography and molecular interactions(5)

Publications61 total

Inverse ligand design: a generative data-driven model for optimizing vanadyl-based epoxidation catalysts
Journal of Catalysis·2025Open Access
<i>meso</i> -Dimethylaminonaphthyl-BODIPY Derivatives as Bioimaging Probes to Monitor Intracellular pH and Label Lysosomes and Lipid Droplets
The Journal of Physical Chemistry B·2025Open Access
Optimizing Vanadium-Catalyzed Epoxidation Reactions: Machine-Learning-Driven Yield Predictions and Data Augmentation
Journal of Chemical Information and Modeling·2025· 2 cited
Enzymatic Degradation of Ochratoxin A: The Role of Ultra-Pure Water
Foods·2025· 3 citedOpen Access
Multilevel plasticity and altered glycosylation drive aggressiveness in hypoxic and glucose-deprived bladder cancer cells
iScience·2025· 7 citedOpen Access
Optimising Materials Properties with Minimal Data: Lessons from Vanadium Catalyst Modelling
Challenges and advances in computational chemistry and physics·2025
A Novel Hybrid MPPT Method Based on Particle Swarm Optimization and P&amp;O Assisted by Spline Interpolation Technique
2024· 1 cited
Data-driven, explainable machine learning model for predicting volatile organic compounds’ standard vaporization enthalpy
Chemosphere·2024· 12 citedOpen Access
Designing Antitrypanosomal and Antileishmanial BODIPY Derivatives: A Computational and In Vitro Assessment
Molecules·2024· 4 citedOpen Access
Correction to “Machine Learning-Assisted Optimization of Drug Combinations in Zeolite-Based Delivery Systems for Melanoma Therapy”
ACS Applied Materials & Interfaces·2024Open Access
Quinoline-based hydrazones for biocide detection: Machine learning-aided design of new TBT chemosensors
Dyes and Pigments·2024· 1 citedOpen Access
Machine Learning-Assisted Optimization of Drug Combinations in Zeolite-Based Delivery Systems for Melanoma Therapy
ACS Applied Materials & Interfaces·2024· 1 citedOpen Access
Navigating epoxidation complexity: building a data science toolbox to design vanadium catalysts
New Journal of Chemistry·2024· 5 citedOpen Access
A Game with a Purpose: Designing Structural Modifications in Polymyxin B to Face Multi-Drug Resistant Bacteria
2023Open Access
Multilevel Plasticity and Altered Glycosylation Drive Aggressiveness in Hypoxic and Glucose-Deprived Bladder Cancer Cells
2023· 3 citedOpen Access
Supplementary Materials for A Game with a Purpose: Designing Structural Modifications in Polymyxin B to Face Multi-drug Resistant Bacteria
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy
Journal of Chemical Information and Modeling·2023· 29 citedOpen Access
Electron density analysis on the alpha acidity of nitriles
Theoretical Chemistry Accounts·2023· 1 citedOpen Access
Systematic Development of Vanadium Catalysts for Sustainable Epoxidation of Small Alkenes and Allylic Alcohols
International Journal of Molecular Sciences·2023· 16 citedOpen Access
ΔvapHm-RDKit: Standard Vaporization Enthalpy Database
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
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Frequent Co-authors

M. Natália D. S. Cordeiro(29), André Melo(11), José Ferraz-Caetano(9), Ricardo A. Mosquera(7), Cristina Freire(6), Lúcio Lara Santos(4), José Alexandre Ferreira(4), Andreia Peixoto(3), Cristiana Gaiteiro(3), Luís Lima(3), Janine Soares(3), Sofia Cotton(3), Carlos Palmeira(3), André M. N. Silva(3), María José Oliveira(3), Amal Kanta Giri(2), Celso A. Reis(2), Paulo Pedreiras(2), Nelson Ferreira(2), Frederico Santos(2)