15 citations · 22 across the 3 of their papers we have counts for
3 papers
NodeCoder: a graph-based machine learning platform to predict active sites of modeled protein structures
Nasim Abdollahi, Seyed Ali Madani Tonekaboni, Jay Huang +2
While accurate protein structure predictions are now available for nearly every observed protein sequence, predicted structures lack much of the functional context offered by exper…
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…
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…