Carlos J. V. Simões

According to our database, Carlos J. V. Simões authored at least 10 papers between 2009 and 2022.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2022

Correction to: Designing optimized drug candidates with Generative Adversarial Network.

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

J. Cheminformatics, 2022

Designing optimized drug candidates with Generative Adversarial Network.

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

J. Cheminformatics, 2022

Explainable deep drug-target representations for binding affinity prediction.

Nelson R. C. Monteiro, Carlos J. V. Simões, Henrique V. Ávila, Maryam Abbasi, José Luís Oliveira, Joel P. Arrais

BMC Bioinform., 2022

2017

Predicting hydrophobic solvation by molecular simulation: 1. Testing united-atom alkane models.

Miguel Jorge, Nuno M. Garrido, Carlos J. V. Simões, Cândida G. Silva, Rui M. M. Brito

J. Comput. Chem., 2017

2014

A Machine Learning Approach to Enhance Scoring Performance in Docking-Based Virtual Screening Experiments: COX-1 as a Case Study.

Cândida G. Silva, Pedro Carreiras, Elsa Henriques, Carlos J. V. Simões, Rui M. M. Brito

Proceedings of the International Work-Conference on Bioinformatics and Biomedical Engineering, 2014

2011

A Relational Learning Approach to Structure-Activity Relationships in Drug Design Toxicity Studies.

Rui Camacho, Max Pereira, Vítor Santos Costa, Nuno A. Fonseca, Carlos Adriano Gonçalves, Carlos J. V. Simões, Rui M. M. Brito

J. Integr. Bioinform., 2011

Assessing the Effect of 2D Fingerprint Filtering on ILP-Based Structure-Activity Relationships Toxicity Studies in Drug Design.

Rui Camacho, Max Pereira, Vítor Santos Costa, Nuno A. Fonseca, Carlos J. V. Simões, Rui M. M. Brito

Proceedings of the 5th International Conference on Practical Applications of Computational Biology & Bioinformatics, 2011

2010

Toward the Discovery of Functional Transthyretin Amyloid Inhibitors: Application of Virtual Screening Methods.

Carlos J. V. Simões, Trishna Mukherjee, Rui M. M. Brito, Richard M. Jackson

J. Chem. Inf. Model., 2010

Searching for Anti-Amyloid Drugs with the Help of Citizens: the "AMILOIDE" Project on the IBERCIVIS Platform.

Carlos J. V. Simões, Alejandro Rivero, Rui M. M. Brito

ERCIM News, 2010

2009

Comparative Study of Classification Algorithms Using Molecular Descriptors in Toxicological DataBases.

Max Pereira, Vítor Santos Costa, Rui Camacho, Nuno A. Fonseca, Carlos J. V. Simões, Rui M. M. Brito

Proceedings of the Advances in Bioinformatics and Computational Biology, 2009