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 (BSB, 2009)

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)

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)

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 (PACBB, 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)

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 (IWBBIO, 2014)

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)

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)

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)

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)