4 papers
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…
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…
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…
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,…