activity
20242026
most citedBinding Affinity Prediction: From Conventional to Machine Learning-Based Approaches

2 citations · 3 across the 5 of their papers we have counts for

collaborators

5 papers

q-bio.QM2026

Large-scale AI-Ready Data for Anti-Cancer Drug Response Modeling

Vincent Lavelle, Yitan Zhu, Kaitlyn Marlor +2

Drug response prediction (DRP) models are an active area of research in pharmacogenomics, with growing potential to accelerate the identification of effective anticancer drugs. How…

cs.CL2025

Automated MCQA Benchmarking at Scale: Evaluating Reasoning Traces as Retrieval Sources for Domain Adaptation of Small Language Models

Ozan Gokdemir, Neil Getty, Robert Underwood +5

As scientific knowledge grows at an unprecedented pace, evaluation benchmarks must evolve to reflect new discoveries and ensure language models are tested on current, diverse liter…

cs.LG2025★ 1 cited

Benchmarking community drug response prediction models: datasets, models, tools, and metrics for cross-dataset generalization analysis

Alexander Partin, Priyanka Vasanthakumari, Oleksandr Narykov +17

Deep learning (DL) and machine learning (ML) models have shown promise in drug response prediction (DRP), yet their ability to generalize across datasets remains an open question,…

q-bio.QM2024★ 2 cited

Binding Affinity Prediction: From Conventional to Machine Learning-Based Approaches

Xuefeng Liu, Songhao Jiang, Xiaotian Duan +14

Protein-ligand binding is the process by which a small molecule (drug or inhibitor) attaches to a target protein. Binding affinity, which characterizes the strength of biomolecular…

q-bio.BM2024

Assessing Reusability of Deep Learning-Based Monotherapy Drug Response Prediction Models Trained with Omics Data

Jamie C. Overbeek, Alexander Partin, Thomas S. Brettin +21

Cancer drug response prediction (DRP) models present a promising approach towards precision oncology, tailoring treatments to individual patient profiles. While deep learning (DL)…