Alex G. C. de Sá

According to our database, Alex G. C. de Sá authored at least 10 papers between 2021 and 2026.

Collaborative distances:

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

2026

DPD-Cancer: Explainable Graph-based Deep Learning for Small Molecule Anti-Cancer Activity Prediction.

Magnus H. Strømme, Alex G. C. de Sá, David B. Ascher

CoRR, March, 2026

kinCSM-RTK: Machine Learning-Based Screening of Receptor Tyrosine Kinase Inhibitors in Drug Discovery.

Adam Serghini, Yunzhuo Zhou, Yoochan Myung, Alex G. C. de Sá, Stephanie Portelli, David B. Ascher

J. Chem. Inf. Model., 2026

2025

Auto-ADMET: An Effective and Interpretable AutoML Method for Chemical ADMET Property Prediction.

Alex G. C. de Sá, David B. Ascher

CoRR, February, 2025

Interpreting Machine Learning Pipelines Produced by Evolutionary AutoML for Biochemical Property Prediction.

Alex G. C. de Sá, Gisele L. Pappa, Alex Alves Freitas, David B. Ascher

Proceedings of the Genetic and Evolutionary Computation Conference Companion, 2025

2024

Towards Evolutionary-based Automated Machine Learning for Small Molecule Pharmacokinetic Prediction.

Alex G. C. de Sá, David B. Ascher

Proceedings of the Genetic and Evolutionary Computation Conference Companion, 2024

2023

Explainable Machine Learning for ICU Readmission Prediction.

Alex G. C. de Sá, Daniel Gould, Anna Fedyukova, Mitchell Nicholas, Lucy Dockrell, Calvin Fletcher, David Pilcher, Daniel Capurro, David B. Ascher, Khaled El-Khawas, Douglas E. V. Pires

CoRR, 2023

LEGO-CSM: a tool for functional characterization of proteins.

Thanh Binh Nguyen, Alex G. C. de Sá, Carlos H. M. Rodrigues, Douglas E. V. Pires, David B. Ascher

Bioinform., 2023

2022

<i>cardioToxCSM</i>: A Web Server for Predicting Cardiotoxicity of Small Molecules.

Saba Iftkhar, Alex G. C. de Sá, João P. L. Velloso, Raghad Al-Jarf, Douglas E. V. Pires, David B. Ascher

J. Chem. Inf. Model., 2022

toxCSM: comprehensive prediction of small molecule toxicity profiles.

Alex G. C. de Sá, Yangyang Long, Stephanie Portelli, Douglas E. V. Pires, David B. Ascher

Briefings Bioinform., 2022

2021

pdCSM-cancer: Using Graph-Based Signatures to Identify Small Molecules with Anticancer Properties.

Raghad Al-Jarf, Alex G. C. de Sá, Douglas E. V. Pires, David B. Ascher

J. Chem. Inf. Model., 2021