Learning across label confidence distributions using Filtered Transfer Learning

no code implementations • 3 Jun 2020 • Seyed Ali Madani Tonekaboni, Andrew E. Brereton, Zhaleh Safikhani, Andreas Windemuth, Benjamin Haibe-Kains, Stephen MacKinnon

In this work, we apply a transfer learning approach to improve predictive power in noisy data systems with large variable confidence datasets.

Transfer Learning

Predicting drug properties with parameter-free machine learning: Pareto-Optimal Embedded Modeling (POEM)

no code implementations • 11 Feb 2020 • Andrew E. Brereton, Stephen MacKinnon, Zhaleh Safikhani, Shawn Reeves, Sana Alwash, Vijay Shahani, Andreas Windemuth

The prediction of absorption, distribution, metabolism, excretion, and toxicity (ADMET) of small molecules from their molecular structure is a central problem in medicinal chemistry with great practical importance in drug discovery.

BIG-bench Machine Learning Drug Discovery