2 papers
cs.LG2020
Learning across label confidence distributions using Filtered Transfer Learning
Seyed Ali Madani Tonekaboni, Andrew E. Brereton, Zhaleh Safikhani +3
Performance of neural network models relies on the availability of large datasets with minimal levels of uncertainty. Transfer Learning (TL) models have been proposed to resolve th…
cs.LG2020
Predicting drug properties with parameter-free machine learning: Pareto-Optimal Embedded Modeling (POEM)
Andrew E. Brereton, Stephen MacKinnon, Zhaleh Safikhani +4
The prediction of absorption, distribution, metabolism, excretion, and toxicity (ADMET) of small molecules from their molecular structure is a central problem in medicinal chemistr…