arXiv:2607. 25322v1 Announce Type: new Abstract: Multimodal drug discovery enables drug representation learning beyond chemical structure by incorporating cellular responses such as gene expression and cell morphology.
By Jintao Huang, Lu Leng, Ziyuan Yang
arXiv:2606. 03435v1 Announce Type: new Abstract: Cell Painting combines multiplexed fluorescent staining, high-content imaging, and quantitative analysis to generate high-dimensional phenotypic readouts to support diverse downstream tasks such as mechanism-of-action (MoA) inference, toxicity prediction, and construction of drug-disease atlases.
By Yuxin Zhang, Yiyao Li, Ping Shu Ho, Simon See, Zhenqin Wu, Kevin Tsia
HADRec is a Hierarchy-Aware Drug Recommendation framework that fuses molecular knowledge and electronic health records to improve medication recommendation. It uses LLaMA-7B to encode clinical notes, ChemBERTa to encode drug SMILES strings, and a cross‑attention mechanism for multimodal fusion, while a hierarchical predictor and consistency constraint loss enforce adherence to the ATC classification system. Experiments on MIMIC‑III and MIMIC‑IV show state‑of‑the‑art performance, strong generalization, and well‑calibrated predictions, with counterfactual evaluation indicating clinically aligned reasoning.
By Junke Wang, Hongshun Ling, Li Zhang, Jinjing Wu, Tong Shao, Fang Wang, Yuan Gao
Accurate prediction of patient-specific therapeutic response from pre-treatment transcriptomes is hindered by the scarcity of matched clinical response labels and post-treatment molecular profiles. Preclinical transfer-learning models can simulate drug-induced expression changes but are often hard to interpret and unstable, whereas knowledge-graph methods provide mechanistic context yet remain static and fail to capture drug-induced transcriptomic perturbation dynamics.
arXiv:2605. 25050v2 Announce Type: replace-cross Abstract: Integrating multimodal datasets in clinical oncology is frequently hindered by high dimensionality and blockwise missingness, where entire data sources are unavailable for specific patient subsets.
By Mohamed Boussena, Florence Monville, Jacques Fieschi-Meric, Frederic Vely, Pierre Milpied, Julien Mazieres, Maurice Perol, Eric Vivier, Laurent Greillier, Fabrice Barlesi, Sebastien Benzekry
arXiv:2606. 17115v1 Announce Type: cross Abstract: Foundation models (FMs) have emerged as powerful representation extractors for medical data, yet their generalizability to datasets under distribution shift remains underexplored.
By Jingyu Hu, Giuseppe Tripodi, Reed Naidoo, Sarah F. McGough, Tapabrata Chakraborti
arXiv:2607. 09982v1 Announce Type: new Abstract: Electronic health record (EHR) data are inherently multimodal, and leveraging multiple modalities can improve predictive performance.
By Nikkie Hooman, Zhongjie Wu, Eric C. Larson, Mehak Gupta
arXiv:2608. 11444v1 Announce Type: cross Abstract: Drug response prediction (DRP) models are an active area of research in pharmacogenomics, with growing potential to accelerate the identification of effective anticancer drugs.
By Vincent Lavelle, Yitan Zhu, Kaitlyn Marlor, Thomas Brettin, Rick Stevens
arXiv:2607. 04557v1 Announce Type: cross Abstract: Accurate prediction of patient-specific therapeutic response from pre-treatment transcriptomes is hindered by the scarcity of matched clinical response labels and post-treatment molecular profiles.
By Dongmin Bang, Sugyun An, Inyoung Sung, Ilho Yun, Sun Kim, Sangseon Lee
The study introduces SynerT, a waveform-only hybrid temporal model that uses a causal dilated TCN and dilated recurrent layers to predict early intraoperative acute kidney injury (AKI). Two extensions, SynerT-MM and SynerT-Stack, incorporate hemodynamic summaries, preoperative covariates, and a leakage-safe stacked ensemble to improve discrimination and calibration. Evaluated on the VitalDB database with a strict 60‑minute prediction window, SynerT-Stack achieved the best performance across AUROC, AUPRC, and F1‑max, and demonstrated the greatest net clinical benefit after recalibration.
By Quang Minh Nguyen, Duc Minh Le, Ho Nhat Minh Nguyen, Thuy Quynh Nguyen, Trong Nghia Nguyen
arXiv:2607. 27289v1 Announce Type: new Abstract: The promise of multimodal fusion lies in combining complementary sources of evidence, yet more evidence does not always yield a better prediction.
By Yu Chang, Anzhe Cheng, Chenwei Wu, Zhuoran Wang, Jiahao Chen, Tamoghna Chattopadhyay, Sophia I. Thomopoulos, Paul M. Thompson, Liyue Shen, Paul Bogdan
arXiv:2609.37384v1 Announce Type: new
Abstract: Molecular representation learning is central to computer-aided drug discovery. Molecular graphs, SMILES strings, and 3D conformations provide complemen...
By Linqing Mo, Jiayu Zhou, Bin Chen