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ORCIDCarlos J. V. Simões
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2020 – today
- 2022
[j6]Nelson R. C. Monteiro
, Carlos J. V. Simões, Henrique V. Ávila, Maryam Abbasi, José Luís Oliveira, Joel P. Arrais:
Explainable deep drug-target representations for binding affinity prediction. BMC Bioinform. 23(1): 237 (2022)- [j5]Maryam Abbasi, Beatriz P. Santos, Tiago C. Pereira, Raul Sofia, Nelson R. C. Monteiro, Carlos J. V. Simões, Rui M. M. Brito, Bernardete Ribeiro, José Luís Oliveira, Joel P. Arrais:
Designing optimized drug candidates with Generative Adversarial Network. J. Cheminformatics 14(1): 40 (2022) - [j4]Maryam Abbasi, Beatriz P. Santos, Tiago C. Pereira, Raul Sofa, Nelson R. C. Monteiro, Carlos J. V. Simões, Rui M. M. Brito, Bernardete Ribeiro, José Luís Oliveira, Joel P. Arrais:
Correction to: Designing optimized drug candidates with Generative Adversarial Network. J. Cheminformatics 14(1): 53 (2022)
2010 – 2019
- 2017
- [j3]Miguel Jorge, Nuno M. Garrido, Carlos J. V. Simões, Cândida G. Silva, Rui M. M. Brito:
Predicting hydrophobic solvation by molecular simulation: 1. Testing united-atom alkane models. J. Comput. Chem. 38(6): 346-358 (2017) - 2014
- [c3]Cândida G. Silva, Pedro Carreiras, Elsa Henriques, Carlos J. V. Simões, Rui M. M. Brito:
A Machine Learning Approach to Enhance Scoring Performance in Docking-Based Virtual Screening Experiments: COX-1 as a Case Study. IWBBIO 2014: 406-414 - 2011
- [j2]Rui Camacho, Max Pereira, Vítor Santos Costa, Nuno A. Fonseca, Carlos Adriano Gonçalves, Carlos J. V. Simões, Rui M. M. Brito:
A Relational Learning Approach to Structure-Activity Relationships in Drug Design Toxicity Studies. J. Integr. Bioinform. 8(3) (2011) - [c2]Rui Camacho, Max Pereira, Vítor Santos Costa, Nuno A. Fonseca, Carlos J. V. Simões, Rui M. M. Brito:
Assessing the Effect of 2D Fingerprint Filtering on ILP-Based Structure-Activity Relationships Toxicity Studies in Drug Design. PACBB 2011: 355-363 - 2010
- [j1]Carlos J. V. Simões, Trishna Mukherjee, Rui M. M. Brito, Richard M. Jackson:
Toward the Discovery of Functional Transthyretin Amyloid Inhibitors: Application of Virtual Screening Methods. J. Chem. Inf. Model. 50(10): 1806-1820 (2010) - [i1]Carlos J. V. Simões, Alejandro Rivero, Rui M. M. Brito:
Searching for Anti-Amyloid Drugs with the Help of Citizens: the "AMILOIDE" Project on the IBERCIVIS Platform. ERCIM News 2010(82): 25 (2010)
2000 – 2009
- 2009
- [c1]Max Pereira, Vítor Santos Costa, Rui Camacho, Nuno A. Fonseca, Carlos J. V. Simões, Rui M. M. Brito:
Comparative Study of Classification Algorithms Using Molecular Descriptors in Toxicological DataBases. BSB 2009: 121-132
Coauthor Index
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