Filipe Teixeira (0C11-CAE9-843B)

Curriculum Vitae

Filipe Teixeira

Filipe Teixeira. Completed the Doutoramento in Química Sustentável in 2014 by Universidade Nova de Lisboa, Doutoramento in Química Sustentável in 2014 by Universidade do Porto and Licenciatura in Licenciatura em Química - Ramo Científico in 2004 by Universidade do Porto Faculdade de Ciências. Is Auxiliary Researcher in Universidade do Minho Centro de Química, Conselho científico/técnico-científico ou orgão correspondente in Universidade do Minho, Conselho científico/técnico-científico ou orgão correspondente (elected) in Universidade do Minho and Secretário de conselho científico/técnico-científico ou orgão correspondente in Universidade do Minho. Published 30 articles in journals. Has 1 section(s) of books. Participated in 3 event(s). Has received 1 awards and/or honors. Participates and/or participated as PhD Student Fellow in 1 project(s) and Researcher in 7 project(s). Works in the area(s) of Exact Sciences with emphasis on Chemical Sciences, Exact Sciences with emphasis on Chemical Sciences with emphasis on Physical Chemistry, Exact Sciences with emphasis on Chemical Sciences with emphasis on Inorganic Chemistry and Exact Sciences with emphasis on Mathematics with emphasis on Statistics and Probability. In their professional activities interacted with 134 collaborator(s) co-authorship of scientific papers. In his curriculum Ciência Vitae the most frequent terms in the context of scientific, technological and artistic-cultural output are: Chemistry and Biochemistry; Python; Programming; Vibrational analysis ; Cultural Heritage; Conservation; Plastic Materials; Multivariate Statistics; Density Functional Theory; Quantum Theory of Atoms in Molecules; Manganese Complexes; Computational Chemistry; Catalysis; Vanadium Complexes; Chemical Education; Epoxidation; Green Chemistry; Synthesis,; Natural Bond Orbital Theory; Machine Learning; Baysean Statistics; Principal Component Analysis; Supercritical CO2; Molecular Descriptors; Molecular Modeling; Reaction Mechanisms; Graphene; Intrinsic Reaction Coordinate; Ab Initio Molecular Dynamics; Iron Complexes; Ionic Liquids; Gold Nanoparticles; Data Mining; Polymers; Classical Molecular Mechanics; Molecular Docking; Protein Structure and Function; Drug Design; .

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Identification

Personal identification

Full name: Filipe Teixeira

Citation names

Teixeira, Filipe

Author identifiers

Ciência ID: 0C11-CAE9-843B
ORCID iD: 0000-0001-8786-0086
Google Scholar ID: HHS6lzMAAAAJ
Researcher Id: C-3097-2014

Email addresses

fteixeira@quimica.uminho.pt (Professional)

Websites

https://github.com/teixeirafilipe (Professional)
https://scholar.google.pt/citations?user=HHS6lzMAAAAJ&hl=en (Scholar)

Knowledge fields

Exact Sciences - Chemical Sciences
Exact Sciences - Chemical Sciences - Physical Chemistry
Exact Sciences - Chemical Sciences - Inorganic Chemistry
Exact Sciences - Mathematics - Statistics and Probability

Education

	Degree	Classification
2020/02/17 - 2020/02/18 Concluded	Introduction to Bayesian Statistics: Fundamentals, Methods and Applications (Outros) Universidade do Porto Faculdade de Ciências, Portugal
2014 Concluded	Química Sustentável (Doutoramento) Universidade Nova de Lisboa, Portugal Universidade do Porto, Portugal "Chemoselectivity of Immobilised Transition Metal Complexes" (THESIS/DISSERTATION)	Approved with Distinction
2004 Concluded	Licenciatura em Química - Ramo Científico (Licenciatura) Universidade do Porto Faculdade de Ciências, Portugal "Estudo da Síntese de 4-imidazolidinonas Derivadas da Primaquina" (THESIS/DISSERTATION)	15

Affiliation

Science

	Category Host institution	Employer
2022/01/03 - Current	Auxiliary Researcher (Research)	Universidade do Minho Centro de Química, Portugal
	Universidade do Minho Centro de Química, Portugal
2019/04/01 - 2021/12/28	Contracted Researcher (Research)	REQUIMTE LAQV Porto, Portugal
	REQUIMTE LAQV Porto, Portugal
2014/09/16 - 2016/03/31	Postdoc (Research)	Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal

Teaching in Higher Education

	Category Host institution	Employer
2019/09/01 - 2020/02/01	Invited Assistant Professor (University Teacher)	Universidade do Porto Faculdade de Ciências, Portugal
	Universidade do Porto Faculdade de Ciências, Portugal

Positions / Appointments

	Category Host institution	Employer
2022/12/21 - Current	Secretário de conselho científico/técnico-científico ou orgão correspondente	Universidade do Minho, Portugal
	Universidade do Minho Escola de Ciências, Portugal
2022/12/12 - Current	Conselho científico/técnico-científico ou orgão correspondente (elected)	Universidade do Minho, Portugal
	Universidade do Minho Escola de Ciências, Portugal
2022/01/03 - Current	Conselho científico/técnico-científico ou orgão correspondente	Universidade do Minho, Portugal
	Universidade do Minho Centro de Química, Portugal

Others

	Category Host institution	Employer
2016/04/01 - 2019/03/31	Pos-Doc Fellowship (Project Food N2020 RL3).	REQUIMTE LAQV Porto, Portugal

2018/03/01 - 2018/06/01	Invited Scientist Under the Iacobus Cooperation Program (EU InterReg)	Universidade de Vigo, Spain

2017/04/03 - 2017/07/07	Invited Scientist Under the Iacobus Cooperation Program (EU InterReg)	Universidade de Vigo, Spain

2015/10/01 - 2016/03/01	Pos-Doc Fellowship (project UID/QUI/50006/2013).	REQUIMTE LAQV Porto, Portugal

2015/12/01 - 2015/12/15	Invited Scientist Under the bi-lateral research agreement between Portugal and India.	Indian Institute of Technology Kanpur, India

2014/09/01 - 2015/04/01	Pos-Doc Fellowship (project INCENTIVO-LA6-2014/ASM/2).	REQUIMTE LAQV Porto, Portugal

2010/01/01 - 2014/07/15	PhD Fellow (Doctoral Programme in Sustainable Chemistry	REQUIMTE LAQV Porto, Portugal

2012/05/02 - 2012/07/31	Visiting Research Student	Universidade de Vigo, Spain

2011/10/01 - 2011/12/31	Visiting Research Student	Universidade de Vigo, Spain

2004/10/01 - 2005/10/01	Research scholarship under project POCTI/BME/44441/2002	Universidade de Aveiro, Portugal

Projects

Grant

	Designation	Funders
2023/01/01 - Current	Novel inhalable therapies fitting polymyxin analogs to combat biofilm-associated lower respiratory infections 2022.06595.PTDC Researcher Universidade do Minho, Portugal	Fundação para a Ciência e a Tecnologia Ongoing
2018/10/01 - 2022/09/30	Green CO2 Technologies for the Cleaning of Plastics in Museums and Heritage Collections PTDC/ART-OUT/29692/2017 Researcher	Fundação para a Ciência e a Tecnologia Ongoing
2013/01/01 - 2017/12/31	Molecular simulation study of the wetting behaviour of polymer grafted silica surfaces INT/PORTUGAL/P-05/2013 Researcher	India Ministry of Science and Technology Fundação para a Ciência e a Tecnologia Concluded
2013/11 - 2016/10	FCT Portugal/India P-05/2013 FCT Portugal/India P-05/2013	Fundação para a Ciência e a Tecnologia
2010/01 - 2013/12	Chemoselectivity of Immobilised Transition Metal Catalysts. A Computational Study. SFRH/BD/64314/2009 PhD Student Fellow REQUIMTE LAQV Porto, Portugal	Fundação para a Ciência e Tecnologia
2008/01/01 - 2013/03	New therapeutic approaches in cancer: Rational design and synthesis of new adenosine A3 receptor ligands info:eu-repo/grantAgreement/FCT/3599-PPCDT/70359/PT Researcher	Fundação para a Ciência e a Tecnologia

Contract

	Designation	Funders
2019/04/01 - 2021/06/30	REALM - Reactive Learning Machines PTDC/QUI-QIN/30649/2017 Researcher Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal	Fundação para a Ciência e a Tecnologia Ongoing
2019/01/01 - 2019/12/31	Laboratório Associado para a Química Verde - Tecnologias e Processos Limpos UID/QUI/50006/2019 LA/P/0008/2020 10.54499/LA/P/0008/2020 Universidade do Porto Faculdade de Ciências, Portugal Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal Universidade Nova de Lisboa, Portugal Universidade de Aveiro, Portugal Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal Universidade de Évora, Portugal Unidade de Investigação Vidro e Cerâmica para as Artes, Portugal Universidade de Lisboa Instituto Dom Luiz, Portugal Universidade Nova de Lisboa Associação para a Inovação e Desenvolvimento da FCT, Portugal	Fundação para a Ciência e a Tecnologia Concluded
2008/01/01 - 2011/03/31	Novas abordagens terapêuticas no cancro: desenho racional e síntese de novos ligandos dos receptores A3 da adenosina PTDC/QUI/70359/2006 Universidade do Porto Instituto de Ciências Tecnologias e Agroambiente, Portugal Universidade de Coimbra, Portugal Instituto Politécnico do Porto Instituto Superior de Engenharia do Porto, Portugal Universidade de Coimbra Unidade de Investigação e Desenvolvimento Química-Física Molecular, Portugal Universidade de Coimbra Faculdade de Ciencias e Tecnologia, Portugal Universidade do Porto Faculdade de Farmácia, Portugal	Fundação para a Ciência e a Tecnologia Concluded

Other

	Designation	Funders
2017/01/01 - 2017/12/31	Preserving the colours of contemporary art: a sustainable approach for Ângelo's sculpture UID/QUI/50006/2013 POCI/01/0145/FEDER/007265 Researcher REQUIMTE LAQV Porto, Portugal Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal	Fundação para a Ciência e a Tecnologia Concluded

Outputs

Publications

Book chapter	Freire, Cristina; Pereira, Clara; Jarrais, Bruno; Fernandes, Diana; Peixoto, Andreia; Cordeiro, Natália; Teixeira, Filipe. "Chapter 11. Supported Vanadium Catalysts: Heterogeneous Molecular Complexes, Electrocatalysis and Biomass Transformation". In Vanadium Catalysis, 241-284. Royal Society of Chemistry, 2020. 10.1039/9781839160882-00241
Conference paper	Inês Machado; João Inácio; Paula Jorge; Filipe Teixeira. "A Game with a Purpose: Designing Structural Modifications in Polymyxin B to Face Multi-Drug Resistant Bacteria". 2023. 10.3390/msf2023023002
Conference poster	João Inácio; Paula Jorge; Teixeira, Filipe. "In Silico Development Of Novel Polymyxin B Derivatives: QSAR Models Of Antimicrobial Activity". Paper presented in 8PYCheM - 8th Portuguese Young Chemists Meeting, 2023. Silva-Santos, Edgar; Teixeira, Filipe; Cordeiro, M. Natalia D. S.. Corresponding author: Silva-Santos, Edgar. "A computer vision approach in identifying foam consoilidation". Paper presented in XXVI Encontro Galaico-Português de Química, 2022. João Inácio; Paula Jorge. "In Silico Development of Novel Polymixin B Derivatives: QSAR models of Antimicrobial Activity". Paper presented in 5th Symposium in Medicinal Chemistry - University of Minho, 2022. José Ferraz-Caetano; Cordeiro, M. Natalia D. S.. "Design and Deployment of Data Science Frameworks for Machine Learning Algorithms to Predict Molar Entropies". Paper presented in 8thEuChemS Chemistry Congress (ECC8), 2022. Teixeira, Filipe; José Ferraz-Caetano; Maria Natália D. S. Cordeiro. "Bias-Variation trade-off in Machine-Learning modelling of the Jacobsen epoxidation process". Paper presented in 14th Meeting of Physical Chemistry, 2021. Edgar Silva-Santos; Teixeira, Filipe; Maria Natália D. S. Cordeiro. "Optimizing Reaction Conditions from Machine Learning Models". Paper presented in 14th Meeting of Physical Chemistry, 2021. Teixeira, Filipe; Joaquín M. Santelices; Cordeiro, M. Natalia D. S.. "Tandem Random Forests - Monte Carlo optimization of Nitro-arene catalytic reduction". Paper presented in Chemical Science Symposium 2020, 2020. J. L. Ferreira; A. Aguiar-Ricardo; S. Babo; T. Casimiro; A. Melo; S. F. Sá; Teixeira, Filipe; Y. Shashoua. "PlasCO2 - Green CO2 Technologies for the Cleaning of Plastics in Museums and Heritage Collections". Paper presented in Plastics Heritage Congress 2019, 2019. Eva M. Angelin; Austin Nevin; Marcello Picollo; Teixeira, Filipe; Maria João Melo. "Photophysical properties of beta-naphthol pigments". Paper presented in 37th Dyes in History and Archaeology, 2018. Eva M. Angelin; Austin Nevin; Marcello Picollo; Teixeira, Filipe; Maria João Melo. "Photophysical properties of ß-naphthol pigments in plastics". Paper presented in Gordon Research Conference, Scientific Methods in Cultural Heritage Research, 2018. Peixoto, Andreia; Fernandes, Elisabete; Gaiteiro, Cristiana; Lima, Luís; Azevedo, Rita; Soares, Janine; Cotton, Sofia; et al. "Hypoxia enhances the malignant nature of bladder cancer cells and concomitantly antagonizes protein O-glycosylation". Paper presented in 29th International Carbohydrate Symposium (ICS 2018) by Peixoto A, 2018. E. M. Angelin; Teixeira, Filipe; M. J. Melo. "Computational Chemistry in Cultural Heritage: Theoretical Predictions of Vibrational Spectra for Alizarin Lakes". Paper presented in 9th International Congress on the Application of Raman Spectroscopy in Art and Archaeology, 2017. Teixeira, Filipe; R. Mosquera; C. Freire; M. N. D. S. Cordeiro. "Dissecting the Jacobsen Catalysts Using Principal Component Analysis". Paper presented in 4th Portuguese Young Chemists Meeting, 2014. Teixeira, Filipe; A. Melo; C. Freire; M. N. D. S. Cordeiro. "Time versus Accuracy: Truncation Effects on the Theoretical Study of the Jacobsen Catalyst". Paper presented in 11th International Chemical and Biological Engineering Conference, 2011. Teixeira, Filipe; A. Melo; C. Freire; M. N. D. S. Cordeiro. "Vanadyl(IV) Acetylacetonate Interactions with terc-Butylhydroperoxide and Geraniol". Paper presented in 8th European Conference on Computational Chemistry, 2010.
Journal article	Rui P.C.L. Sousa; Filipe Teixeira; Susana P.G. Costa; Rita B. Figueira; M. Manuela M. Raposo. "Quinoline-based hydrazones for biocide detection: Machine learning-aided design of new TBT chemosensors". Dyes and Pigments (2024): https://doi.org/10.1016/j.dyepig.2024.112053. 10.1016/j.dyepig.2024.112053 Bertão, Ana Raquel; Teixeira, Filipe; Ivasiv, Viktoriya; Parpot, Pier; Almeida-Aguiar, Cristina; Fonseca, António M.; Bañobre-López, Manuel; Baltazar, Fátima; Neves, Isabel C.. "Machine Learning-Assisted Optimization of Drug Combinations in Zeolite-Based Delivery Systems for Melanoma Therapy". ACS Applied Materials & Interfaces 16 5 (2024): 5696-5707. http://dx.doi.org/10.1021/acsami.3c18224. Published • 10.1021/acsami.3c18224 José Ferraz-Caetano; Filipe Teixeira; Maria Natália Dias Soeiro Cordeiro. "Navigating Epoxidation Complexity: Building a Data Science Toolbox to Design Vanadium Catalysts". New Journal of Chemistry (2024): http://dx.doi.org/10.1039/d3nj05784d. 10.1039/d3nj05784d José Luis López; Filipe Teixeira; Ana M. Graña; Ricardo A. Mosquera. "Electron density analysis on the alpha acidity of nitriles". Theoretical Chemistry Accounts (2023): https://doi.org/10.1007/s00214-023-03022-8. 10.1007/s00214-023-03022-8 José Ferraz-Caetano; Filipe Teixeira; M. Natália D. S. Cordeiro. "Explainable Supervised Machine Learning Model To Predict Solvation Gibbs Energy". Journal of Chemical Information and Modeling (2023): https://doi.org/10.1021/acs.jcim.3c00544. 10.1021/acs.jcim.3c00544 José Ferraz-Caetano; Filipe Teixeira; Maria Natália Dias Soeiro Cordeiro. "Systematic Development of Vanadium Catalysts for Sustainable Epoxidation of Small Alkenes and Allylic Alcohols". International Journal of Molecular Sciences (2023): https://doi.org/10.3390/ijms241512299. 10.3390/ijms241512299 Inês Machado; João Inácio; Paula Jorge. "Machine Learning Modeling and Insights into the Structural Foundations of Polymyxin-like Antimicrobials". Journal of Chemical Information and Modeling (2023): Submitted Teixeira, Filipe. "TMtopo Dataset — Quantum Geometries and Density Topology for 1.1k Transition Metal Complexes". (2021): https://chemrxiv.org/articles/preprint/TMtopo_Dataset_Quantum_Geometries_and_Density_Topology_for_1_1k_Transition_Metal_Complexes/14083196. 10.26434/chemrxiv.14083196.v1 Amal Kanta Giri; Filipe Teixeira; M. Natália D.S. Cordeiro. "Salt separation from water using graphene oxide nanochannels: A molecular dynamics simulation study". Desalination 460 (2019): 1-14. https://doi.org/10.1016/j.desal.2019.02.014. 10.1016/j.desal.2019.02.014 Filipe Teixeira; M. Natália D. S. Cordeiro. "Improving Vibrational Mode Interpretation Using Bayesian Regression". Journal of Chemical Theory and Computation (2019): https://doi.org/10.1021/acs.jctc.8b00439. 10.1021/acs.jctc.8b00439 Amal Kanta Giri; Teixeira, Filipe; M. N. D. S. Cordeiro. "Salt Separation from Water using Graphene Oxide Nanochannels: A Molecular Dynamics Simulation Study". Desalination (2019): Accepted Amal Kanta Giri; Filipe Teixeira; M. Natália D.S. Cordeiro. "Structure and kinetics of water in highly confined conditions: A molecular dynamics simulation study". Journal of Molecular Liquids 268 (2018): 625-636. https://doi.org/10.1016%2Fj.molliq.2018.07.083. 10.1016/j.molliq.2018.07.083 Filipe Teixeira; André Melo; M. Natália D. S. Cordeiro. "Exploring rare chemical phenomena using fractional nuclear charges: The cis- effect in N2 F2". International Journal of Quantum Chemistry (2018): e25662-e25662. https://doi.org/10.1002/qua.25662. 10.1002/qua.25662 Michal Malcek; Lukáš Bucinský; Filipe Teixeira; M. Natália D. S. Cordeiro. "Detection of simple inorganic and organic molecules over Cu-decorated circumcoronene: a combined DFT and QTAIM study". Physical Chemistry Chemical Physics (2018): https://doi.org/10.1039/C8CP02035C. 10.1039/C8CP02035C Teixeira, F.; Cordeiro, M.N.D.S.. "Strengths,weaknesses, opportunities and threats: Computational studies of Mn-and Fe-catalyzed epoxidations". Catalysts 7 1 (2017): http://www.scopus.com/inward/record.url?eid=2-s2.0-85008210369&partnerID=MN8TOARS. 10.3390/catal7010002 Teixeira, F.; Mosquera, R.; Melo, A.; Freire, C.; Cordeiro, M.N.D.S.. "Driving Forces in the Sharpless Epoxidation Reaction: A Coupled AIMD/QTAIM Study". Inorganic Chemistry 56 4 (2017): 2124-2134. http://www.scopus.com/inward/record.url?eid=2-s2.0-85013301427&partnerID=MN8TOARS. 10.1021/acs.inorgchem.6b02770 Voroshylova, I.V.; Teixeira, F.; Costa, R.; Pereira, C.M.; Cordeiro, M.N.D.S.. "Interactions in the ionic liquid [EMIM][FAP]: A coupled experimental and computational analysis". Physical Chemistry Chemical Physics 18 4 (2016): 2617-2628. http://www.scopus.com/inward/record.url?eid=2-s2.0-84955493957&partnerID=MN8TOARS. 10.1039/c5cp06027c Teixeira, F.; Mosquera, R.; Melo, A.; Freire, C.; Cordeiro, M.N.D.S.. "Roots of Acetate-Vanadium Linkage Isomerism: A QTAIM Study". Inorganic Chemistry 55 7 (2016): 3653-3662. http://www.scopus.com/inward/record.url?eid=2-s2.0-84964380492&partnerID=MN8TOARS. 10.1021/acs.inorgchem.6b00168 Peixoto, A.; Fernandes, E.; Gaiteiro, C.; Lima, L.; Azevedo, R.; Soares, J.; Cotton, S.; et al. "Hypoxia enhances the malignant nature of bladder cancer cells and concomitantly antagonizes protein O-glycosylation extension". Oncotarget 7 39 (2016): 63138-63157. http://www.scopus.com/inward/record.url?eid=2-s2.0-84994050563&partnerID=MN8TOARS. 10.18632/oncotarget.11257 Fajín, J.L.C.; Teixeira, F.; Gomes, J.R.B.; Cordeiro, M.N.D.S.. "Effect of van der Waals interactions in the DFT description of self-assembled monolayers of thiols on gold". Theoretical Chemistry Accounts 134 5 (2015): http://www.scopus.com/inward/record.url?eid=2-s2.0-84946174225&partnerID=MN8TOARS. 10.1007/s00214-015-1666-y Teixeira, F.; Cordeiro, M.N.D.S.. "Simple descriptors for assessing the outcome of aza-Diels-Alder reactions". RSC Advances 5 63 (2015): 50729-50740. http://www.scopus.com/inward/record.url?eid=2-s2.0-84935898494&partnerID=MN8TOARS. 10.1039/c5ra08307a Teixeira, F.; Mosquera, R.A.; Melo, A.; Freire, C.; Cordeiro, M.N.D.S.. "Principal component analysis of Mn(salen) catalysts". Physical Chemistry Chemical Physics 16 46 (2014): 25364-25376. http://www.scopus.com/inward/record.url?eid=2-s2.0-84908592539&partnerID=MN8TOARS. 10.1039/c4cp00721b Teixeira, F.; Mosquera, R.A.; Melo, A.; Freire, C.; Cordeiro, M.N.D.S.. "Effects of axial coordination on immobilized Mn(salen) catalysts". Journal of Physical Chemistry A 118 45 (2014): 10788-10796. http://www.scopus.com/inward/record.url?eid=2-s2.0-84924308449&partnerID=MN8TOARS. 10.1021/jp506206b Teixeira, F.; Mosquera, R.; Melo, A.; Freire, C.; Cordeiro, M.N.D.S.. "Charge distribution in Mn(salen) complexes". International Journal of Quantum Chemistry 114 8 (2014): 525-533. http://www.scopus.com/inward/record.url?eid=2-s2.0-84897631297&partnerID=MN8TOARS. 10.1002/qua.24604 Almeida, A.; Ferreira, J.A.; Teixeira, F.; Gomes, C.; Cordeiro, M.N.D.S.; Osório, H.; Santos, L.L.; et al. "Challenging the limits of detection of sialylated Thomsen-Friedenreich antigens by in-gel deglycosylation and nano-LC-MALDI-TOF-MS". Electrophoresis 34 16 (2013): 2337-2341. http://www.scopus.com/inward/record.url?eid=2-s2.0-84881615874&partnerID=MN8TOARS. 10.1002/elps.201300148 Teixeira, F.; Melo, A.; Cordeiro, M.N.D.S.. "Aza-Diels-Alder addition of cyclopentadiene to propynyliminoglyoxylates". Computational and Theoretical Chemistry 1012 (2013): 54-59. http://www.scopus.com/inward/record.url?eid=2-s2.0-84875827794&partnerID=MN8TOARS. 10.1016/j.comptc.2013.02.014 Gaspar, A.; Teixeira, F.; Uriarte, E.; Milhazes, N.; Melo, A.; Cordeiro, M.N.D.S.; Ortuso, F.; Alcaro, S.; Borges, F.. "Towards the Discovery of a Novel Class of Monoamine Oxidase Inhibitors: Structure-Property-Activity and Docking Studies on Chromone Amides". ChemMedChem 6 4 (2011): 628-632. http://www.scopus.com/inward/record.url?eid=2-s2.0-79953066953&partnerID=MN8TOARS. 10.1002/cmdc.201000452 Teixeira, F.; Melo, A.; Cordeiro, M.N.D.S.. "Response to Comment on Uncertainties in scaling factors for ab initio vibrational zero-point energies' and Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional' [J. Chem. Phys. 134, 167101 (2011)]". Journal of Chemical Physics 134 16 (2011): http://www.scopus.com/inward/record.url?eid=2-s2.0-79955691604&partnerID=MN8TOARS. 10.1063/1.3581086 Teixeira, F.; Melo, A.; Cordeiro, M.N.D.S.. "Calibration sets and the accuracy of vibrational scaling factors: A case study with the X3LYP hybrid functional". Journal of Chemical Physics 133 11 (2010): http://www.scopus.com/inward/record.url?eid=2-s2.0-77956947985&partnerID=MN8TOARS. 10.1063/1.3493630
Online resource	Teixeira, Filipe. TMtopo - Properties and Quantum Topological Descriptors for Transition Metal Complexes. 2021. https://github.com/teixeirafilipe/TMtopo. Teixeira, Filipe. IRC4Orca - An Implementation of Morokuma's IRC method for the Orca Electronic Structure Software package. 2018. https://github.com/teixeirafilipe/irc4orca. Teixeira, Filipe. vibAnalysis - Tools for performing vibrational analysis on molecular systems. 2017. https://github.com/teixeirafilipe/vibAnalysis.
Preprint	Inês Machado; João Inácio; Paula Jorge; Filipe Teixeira. "Machine Learning Modeling and Insights into the Structural Foundations of Polymyxin-like Antimicrobials". 2023. https://doi.org/10.26434/chemrxiv-2023-mqzjb. 10.26434/chemrxiv-2023-mqzjb Peixoto, Andreia; Ferreira, Dylan; Miranda, Andreia; Relvas-Santos, Marta; Freitas, Rui; Veth, Tim S.; Brandão, Andreia; et al. "Multilevel Plasticity and Altered Glycosylation Drive Aggressiveness in Hypoxic and Glucose-Deprived Bladder Cancer Cells". 2023. http://dx.doi.org/10.1101/2023.10.21.561355. 10.1101/2023.10.21.561355
Thesis / Dissertation	Teixeira, Filipe. "Chemoselectivity of Immobilized Transition Metal Catalysts. A Computational Study". PhD, Universidade do Porto Faculdade de Ciências, 2014. https://repositorio-aberto.up.pt/bitstream/10216/76131/2/31468.pdf.

Other

Other output

Metabolomics, Transcriptomics and Functional Glycomics Reveals Bladder Cancer Cells Plasticity and Enhanced Aggressiveness Facing Hypoxia and Glucose Deprivation. 2021. Andreia Peixoto; Rui Freitas; Dylan Ferreira; Marta Relvas-Santos; Paula Paulo; Marta Cardoso; Janine Soares; et al. https://doi.org/10.1101/2021.02.14.431133.
10.1101/2021.02.14.431133
CPD - Complex Partial Dependence for Scikit-learn. 2021. Teixeira, Filipe. https://zenodo.org/record/4419860.
10.5281/ZENODO.4419860
SensArt: Low-Cost SENSor Development for Preventive Conservation of Cultural ARTefacts. Innovation Action proposal under H2020 call NMBP-33-2018. 2018. Teixeira, Filipe; Pierre Ponsar; Graeme Snowden; Daniela Trambitas; Simona Colica; Rutigliano Lorenzo; Ian Robinson.
GreenClean: Innovative green technologies for the cleaning of modern synthetics in museum and heritage collections. Project proposal for H2020 call NMBP-35-2017.. 2016. Teixeira, Filipe; M. N. D. S. Cordeiro; M. J. Melo; Austin Nevin; Marcello Picollo; Costanza Cucci; A. Quye; et al.

Activities

Oral presentation

	Presentation title	Event name Host (Event location)
2023/11/24	Vanadium-based catalyst design guidelines using an explainable ML model for predicting epoxidation yields	European Chemical Society (EuChemS) (Lisbon, Portugal)
2023/09/20	A Game with a Purpose: Designing Structural Modifications in Polymyxin B to Face Multi-Drug Resistant Bacteria	The 1st International Meeting Molecules 4 Life University of Trás-os-Montes and Alto Douro (Vila Real, Portugal)
2023/09/05	Explainable Catalytic Epoxide Synthesis Prediction through Machine Learning Models and Descriptive Features	International Symposium on Synthesis and Catalysis 2023 - ISySyCat2023 University of Évora (Évora, Portugal)
2023/05/17	New Developments In Biocide Chemosensors: Are Quinoline-Based Hydrazones Any Good?	8PYCheM - 8th Portuguese Young Chemists Meeting Sociedade Portuguesa de Química (Vila Real, Portugal)
2023/05/17	A Computational Study On The Hydrosilylation Of Imines	8PYCheM - 8th Portuguese Young Chemists Meeting Sociedade Portuguesa de Química (Vila Real, Portugal)
2023/05/05	Explainable Artificial Intelligence methods in Machine Learning Models to Predict Standard Vaporization Enthalpies	8PYCheM - 8th Portuguese Young Chemists Meeting Sociedade Portuguesa de Química (Vila Real, Portugal)
2022/09/22	PlasCO2, an approach from computer vision perspective	PlasCO2 Seminar & Workshop Universidade Nova de Lisboa (Lisbon)
2022/05/16	Stability of Poly(methyl methacrylate) on Super-critical CO2: A Molecular Dynamics Study Toward the re-usability of PMMA artefacts.	International Symposium in Green Chemistry (ISGC2022) National Center for Scientific Research - France (La Rochelle, France)
2021/12/10	Tuning the Catalytic Reduction of Nitro-arenes Using Artificial Intelligence	XI National Meeting on Catalysis and Porous Materials & II Meeting of the Carbon Group Sociedade Portuguesa de Química (Aveiro (On line), Portugal)
2021/03/29	Understanding the Topology of the Laplacian Field in Transition Metal Chemistry: From Chemical Insights to Specialized Molecular Descriptors	14th Meeting of Physical Chemistry Sociedade Portuguesa de Química (Coimbra, Portugal)
2020/01/27	Machine Learning: New Tools (and Challenges) in Chemistry	BioSIM Cycle of Conferences Universidade do Porto, Faculty of Medicine (Porto, Portugal)
2018/11	Improving Vibrational Mode Interpretation Using Bayesian Regression	XXIV Encontro Luso-Galego de Química Sociedade Portuguesa de Química (Porto, Portugal)
2018/07	Improving Vibrational Mode Interpretation Using Bayesian Regression	X Iberian Spectroscopy Conference Sociedade Portuguesa de Química (Lisbon, Portugal)
2018/05	Novos Descritores Químicos para Catálise e Materiais	2 Encontro de Investigadores do Departamento de Química e Bioquímica Universidade do Porto Faculdade de Ciências (Porto, Portugal)
2017/11	Cut it, Pinch it, Twist it: A Theoretical Look at Alizarin	Seminar for the PhD programme in Conservation and Restoration of Cultural Heritage Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia (Lisbon, Portugal)
2017/01	Vanadium-Catalized Epoxidation of Allylic Alcohols: Theoretical Models From Coupled AIMD/QTAIM Studies	10th International Conference on Computational Physics (Macau, China)
2016/11/12	Shedding some light: How Theoretical Chemists Look at Colourants	Seminar for the PhD programme in Conservation and Restoration of Cultural Heritage Universidade NOVA de Lisboa Faculdade de Ciências e Tecnologia (Lisbon, Portugal)
2016/11	Oddities in the inner-Valence Shell Charge Distribution of Scandium, Titanium and Vanadium in MOnXm (X=F,Cl) complexes	XXII Encontro Luso-Galego de Química Sociedade Portuguesa de Química (Bragança, Portugal)
2016/10	Vanadium-Catalized Epoxidation of Allylic Alcohols: Theoretical Models From Coupled AIMD/QTAIM Studies	11th Inorganic Chemistry Conference Sociedade Portuguesa de Química (Sintra, Portugal)
2015/12/12	Tumbling Down the Rabbit Hole: Contributions of DFT and QTAIM in Material Science	Talk at the Indian Institute of Technology - Kapur Indian Institute of Technology - Kapur (Kanpur, India)
2012/12	Accessing group transferability in Vanadyl (IV) and Vanadyl (V) complexes	XVIII Encontro Luso-Galego de Química Sociedade Portuguesa de Química (Vila Real, Portugal)

Supervision

	Thesis Title Role	Degree Subject (Type) Institution / Organization
2022/01/01 - 2025/12/31	Metal-free paths for the enantioselective hydrosyliation of imines: A computational and experimental study Co-supervisor	Química Sustentável (PhD) Universidade do Porto, Portugal Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal REQUIMTE LAQV Porto, Portugal
2021/01/01 - 2024/12/31	Inverse optimizationof the chemical space towards sustainable catalytic epoxidation manufacturing methods Co-supervisor	Química Sustentável (PhD) REQUIMTE LAQV Porto, Portugal Universidade do Porto, Portugal Universidade Nova de Lisboa, Portugal
2022/10/01 - 2023/07/31	Silico Design of Novel Antimicrobial Agents Derived from Polymixin B Supervisor	Mestrado em Química Medicinal (Master) Universidade do Minho Centro de Química, Portugal
2021/01/01 - 2022/06/30	PlasCO2 - Tecnologias Verdes à base de CO2 para a Limpeza de Plásticos em Museus e Colecções Patrimoniais Supervisor	Fellowship in Project PlasCO2 - Tecnologias Verdes à base de CO2 para a Limpeza de Plásticos em Museus e Colecções Patrimoniais (Scientific initiation) Rede de Química e Tecnologia Laboratório Associado para a Química Verde, Portugal
2021/02/08 - 2021/06/30	Elucidação do mecanismo da adição assimétrica de Michael usando metadinâmicas e nano-reatores Co-supervisor	Chemistry (Degree) Universidade do Porto Faculdade de Ciências, Portugal
2020/09/14 - 2021/06/30	Aplicação de Inteligência Artificial na Previsão e Otimização de Processos Químicos. Co-supervisor	Mestrado em Química (Master) Universidade do Porto Faculdade de Ciências, Portugal
2020/01/01 - 2021/06/30	REALM - Reactive Learning Machines Co-supervisor	Master Fellowship in Project REALM - Reactive Learning Machines (Other) Universidade do Porto Faculdade de Ciências, Portugal
2020/02/01 - 2020/07/20	A match made in silico: finding the optimal conditions for 4-Nitrophenol Reduction. Co-supervisor	Master SERP+ Programme (Master) Universidade do Porto Faculdade de Ciências, Portugal
2016/02/11 - 2016/06/15	Estudo Teórico do Efeito cis por QTAIM (Theoretical Study of the cis-Effect using QTAIM) Co-supervisor	Chemistry (Degree) Universidade do Porto Faculdade de Ciências, Portugal
2016/02/10 - 2016/06/15	Estudo teórico do efeito cis- por QTAIM (Theoretical Study of the cis-Effect Using QTAIM) Co-supervisor	Chemistry (Degree) Universidade do Porto Faculdade de Ciências, Portugal

Event participation

	Activity description Type of event	Event name Institution / Organization
2015/03 - Current	Monitoring of scientific activities related to computational chemistry to be explored by high school students. Other	Labweek 2015 Universidade do Porto Faculdade de Ciências, Portugal
2020/11/09 - 2020/11/13	Workshop on Open-Source Tools for Chemistry Workshop	Workshop on Open-Source Tools for Chemistry Royal Society of Chemistry, United Kingdom
2020/09/29 - 2020/09/30	Tandem Random Forests - Monte Carlo optimization of Nitro-arene catalytic reduction. Symposium	Chemical Science Symposium 2020 Royal Society of Chemistry, United Kingdom

Jury of academic degree

	Topic Role	Candidate name (Type of degree) Institution / Organization
2023/12/04	Desenvolvimento in silico de novos agentes antimicrobianos derivados da polimixina B Supervisor	João Miguel Inácio (Master) Universidade do Minho, Portugal
2022/12/16	Lipidomic Profiler using NMR-phenotypic traits (Thesis) Main arguer	Vasco Rafael Rocha dos Santos (Master) Universidade do Minho, Portugal
2022/02/11	Computational Development of New Biocatalyst for Plastic Degradation through QM/MM Methods (Thesis) Main arguer	Jorge Miguel Fernandes da Cunha (Master) Universidade do Minho Escola de Ciências, Portugal

Association member

	Society Organization name	Role
2004/01/01 - Current	Sociedade Portuguesa de Química	Sócio Efectivo

Conference scientific committee

	Conference name	Conference host
2023/04/01 - 2033/11/04	Ciência e Tecnologia na Exploração Espacial	University of Minho
2023/06/01 - 2023/06/15	6th Symposium in Medicinal Chemistry - University of Minho	University of Minho

Consulting

	Activity description	Institution / Organization
2012/06/01 - Current	Technical responsible (non-paying position) for the QUIMAT group. Main activities: Computer resource management; implementation of High-Performance Computing solutions for quantum chemistry and classical molecular modelling applications.	REQUIMTE LAQV Porto, Portugal

Course / Discipline taught

	Academic session	Degree Subject (Type)	Institution / Organization
2023/09/11 - 2024/01/31	Modelação Molecular - Molecular Modelling	Medicinal Chemistry (Mestrado)	Universidade do Minho Escola de Ciências, Portugal
2022/09/01 - 2023/02/28	Molecular Modelling	Química Medicinal (Mestrado integrado)	Universidade do Minho, Portugal
2020/09/14 - 2021/02/28	"Introduction to Python Programming", as part of the Discipline of "Computational Chemistry"	(Mestrado)	Universidade do Porto Faculdade de Ciências, Portugal
2019/09/10 - 2020/02/01	"Introduction to Python Programming", as part of the Discipline of "Computational Chemistry"	Mestrado em Química (Mestrado)	Universidade do Porto Faculdade de Ciências, Portugal

Mentoring / Tutoring

	Topic	Student name
2022/02/11 - 2022/08/08	Modelos Reacionais para a Redução de Nitro-arenos em Superfícies Modificadas de Carbono	Gabriela Martins Werdan
2021/01/08 - 2021/06/30	Erasmus+ Traineeship in Cheminformatics	Valentina Pellicioni
2017/01/01 - 2019/10/31	Modeling Graphene-Water Interactions for desalination applications.	Amal Kanta Giri

Distinctions

Other distinction

2003	Prémio Doutor Fernando Serrão Universidade do Porto Faculdade de Ciências, Portugal