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TITLE: Deepmol: an automated machine and deep learning framework for computational chemistry  Full Text
AUTHORS: Correia, Joao; Capela, Joao; Rocha, Miguel ;
PUBLISHED: 2024, SOURCE: JOURNAL OF CHEMINFORMATICS, VOLUME: 16, ISSUE: 1
INDEXED IN: Scopus WOS CrossRef: 16
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TITLE: Combining Evolutionary Algorithms With Reaction Rules Towards Focused Molecular Design
AUTHORS: Correia, Joao; Pereira, Vitor ; Rocha, Miguel ;
PUBLISHED: 2023, SOURCE: Genetic and Evolutionary Computation Conference (GECCO) in PROCEEDINGS OF THE 2023 GENETIC AND EVOLUTIONARY COMPUTATION CONFERENCE, GECCO 2023
INDEXED IN: Scopus WOS CrossRef
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TITLE: A Comparison of Different Compound Representations for Drug Sensitivity Prediction
AUTHORS: Baptista, Delora; Correia, Joao; Pereira, Bruno; Rocha, Miguel ;
PUBLISHED: 2022, SOURCE: 15th International Conference on Practical Applications of Computational Biology and Bioinformatics (PACBB) in PRACTICAL APPLICATIONS OF COMPUTATIONAL BIOLOGY & BIOINFORMATICS, PACBB 2021, VOLUME: 325
INDEXED IN: Scopus WOS CrossRef: 2
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TITLE: Evaluating molecular representations in machine learning models for drug response prediction and interpretability
AUTHORS: Baptista, Delora; Correia, Joao; Pereira, Bruno; Rocha, Miguel ;
PUBLISHED: 2022, SOURCE: JOURNAL OF INTEGRATIVE BIOINFORMATICS, VOLUME: 19, ISSUE: 3
INDEXED IN: Scopus WOS CrossRef: 14
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TITLE: Predicting the number of biochemical transformations needed to synthesize a compound
AUTHORS: Correia, Joao; Carreira, Rafael; Pereira, Vitor ; Rocha, Miguel ;
PUBLISHED: 2022, SOURCE: IEEE International Conference on Fuzzy Systems (FUZZ-IEEE) / IEEE World Congress on Computational Intelligence (IEEE WCCI) / International Joint Conference on Neural Networks (IJCNN) / IEEE Congress on Evolutionary Computation (IEEE CEC) in 2022 INTERNATIONAL JOINT CONFERENCE ON NEURAL NETWORKS (IJCNN), VOLUME: 2022-July
INDEXED IN: Scopus WOS CrossRef
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TITLE: Development of Deep Learning approaches to predict relationships between chemical structures and sweetness
AUTHORS: Capela, Joao; Correia, Joao; Pereira, Vitor ; Rocha, Miguel ;
PUBLISHED: 2022, SOURCE: IEEE International Conference on Fuzzy Systems (FUZZ-IEEE) / IEEE World Congress on Computational Intelligence (IEEE WCCI) / International Joint Conference on Neural Networks (IJCNN) / IEEE Congress on Evolutionary Computation (IEEE CEC) in 2022 INTERNATIONAL JOINT CONFERENCE ON NEURAL NETWORKS (IJCNN), VOLUME: 2022-July
INDEXED IN: Scopus WOS CrossRef: 1
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TITLE: Combining Multi-objective Evolutionary Algorithms with Deep Generative Models Towards Focused Molecular Design
AUTHORS: Sousa, T; Correia, J; Pereira, V ; Rocha, M ;
PUBLISHED: 2021, SOURCE: 24th International Conference on the Applications of Evolutionary Computation, EvoApplications 2021 held as Part of EvoStar 2021 in Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics), VOLUME: 12694 LNCS
INDEXED IN: Scopus CrossRef: 3
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TITLE: Generative Deep Learning for Targeted Compound Design  Full Text
AUTHORS: Sousa, T; Correia, J; Pereira, V ; Rocha, M ;
PUBLISHED: 2021, SOURCE: JOURNAL OF CHEMICAL INFORMATION AND MODELING, VOLUME: 61, ISSUE: 11
INDEXED IN: Scopus WOS CrossRef: 63
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TITLE: Artificial Intelligence in Biological Activity Prediction
AUTHORS: Correia, J; Resende, T; Baptista, D; Rocha, M ;
PUBLISHED: 2020, SOURCE: 13th International Conference on Practical Applications of Computational Biology and Bioinformatics (PACBB) in PRACTICAL APPLICATIONS OF COMPUTATIONAL BIOLOGY AND BIOINFORMATICS, VOLUME: 1005
INDEXED IN: Scopus WOS CrossRef: 3