Carlos J. V. Simões

Publication Activity (10 Years)

Years Active: 2009-2022
Publications (10 Years): 4

Top Topics

Generative Model

Learning Algorithm

Bayesian Networks

Top Venues

J. Cheminformatics

J. Comput. Chem.

Publications

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) (2022)
Maryam Abbasi, Beatriz P. Santos, Tiago Pereira, Raul Sofia, Nelson R. C. Monteiro, Carlos J. V. Simões, Rui Brito, Bernardete Ribeiro, José Luís Oliveira, Joel P. Arrais
Designing optimized drug candidates with Generative Adversarial Network. J. Cheminformatics 14 (1) (2022)
Maryam Abbasi, Beatriz P. Santos, Tiago 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) (2022)
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) (2017)
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)
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)
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)
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) (2010)
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) (2010)
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)