1 citations · 2 across the 4 of their papers we have counts for
Showing q-bio.BMShow all
2 papers · 1 filter
q-bio.BM2020
Improved Protein-ligand Binding Affinity Prediction with Structure-Based Deep Fusion Inference
Derek Jones, Hyojin Kim, Xiaohua Zhang +7
Predicting accurate protein-ligand binding affinity is important in drug discovery but remains a challenge even with computationally expensive biophysics-based energy scoring metho…
q-bio.BM2020
Split Optimization for Protein/Ligand Binding Models
Brian Davis, Kevin Mcloughlin, Jonathan Allen +1
In this paper, we investigate potential biases in datasets used to make drug binding predictions using machine learning. We investigate a recently published metric called the Asymm…