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We present a novel approach for the prediction of anticancer compound sensitivity by means of multi-modal attention-based neural networks (PaccMann). In our approach, we integrate three key pillars of drug sensitivity, namely, the molecular…

Predicting the response of a specific cancer to a therapy is a major goal in modern oncology that should ultimately lead to a personalised treatment. High-throughput screenings of potentially active compounds against a panel of genomically…

Molecular property prediction has attracted substantial attention recently. Accurate prediction of drug properties relies heavily on effective molecular representations. The structures of chemical compounds are commonly represented as…

Machine Learning · Computer Science 2025-08-05 Anyin Zhao , Zuquan Chen , Zhengyu Fang , Xiaoge Zhang , Jing Li

Accurate and robust drug response prediction is of utmost importance in precision medicine. Although many models have been developed to utilize the representations of drugs and cancer cell lines for predicting cancer drug responses (CDR),…

Quantitative Methods · Quantitative Biology 2023-11-22 Xiaoqiong Xia , Chaoyu Zhu , Yuqi Shan , Fan Zhong , Lei Liu

Cancer is the second leading cause of death, with chemotherapy as one of the primary forms of treatment. As a result, researchers are turning to drug combination therapy to decrease drug resistance and increase efficacy. Current methods of…

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Predicting clinical outcomes to anti-cancer drugs on a personalized basis is challenging in cancer treatment due to the heterogeneity of tumors. Traditional computational efforts have been made to model the effect of drug response on…

Machine Learning · Computer Science 2022-07-12 Jie Gao , Jing Hu , Wanqing Sun , Yili Shen , Xiaonan Zhang , Xiaomin Fang , Fan Wang , Guodong Zhao

Super-resolving medical images can help physicians in providing more accurate diagnostics. In many situations, computed tomography (CT) or magnetic resonance imaging (MRI) techniques capture several scans (modes) during a single…

Anti-cancer drug sensitivity prediction using deep learning models for individual cell line is a significant challenge in personalized medicine. REFINED (REpresentation of Features as Images with NEighborhood Dependencies) CNN…

Machine Learning · Computer Science 2021-07-22 Omid Bazgir , Souparno Ghosh , Ranadip Pal

Understanding the phenotypic drug response on cancer cell lines plays a vital rule in anti-cancer drug discovery and re-purposing. The Genomics of Drug Sensitivity in Cancer (GDSC) database provides open data for researchers in phenotypic…

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Cancer prognosis and survival outcome predictions are crucial for therapeutic response estimation and for stratifying patients into various treatment groups. Medical domains concerned with cancer prognosis are abundant with multiple…

Image and Video Processing · Electrical Eng. & Systems 2024-02-29 Ruining Deng , Nazim Shaikh , Gareth Shannon , Yao Nie

We introduce ProtoPathway, an interpretable-by-design multimodal framework for cancer survival prediction that unifies whole slide imaging and transcriptomics through encoders producing biologically grounded representations on both sides of…

Computer Vision and Pattern Recognition · Computer Science 2026-05-21 Amaya Gallagher-Syed , Costantino Pitzalis , Myles J. Lewis , Michael R. Barnes , Gregory Slabaugh

Due to the high heterogeneity and clinical characteristics of cancer, there are significant differences in multi-omic data and clinical characteristics among different cancer subtypes. Therefore, accurate classification of cancer subtypes…

Quantitative Methods · Quantitative Biology 2023-08-23 Liangrui Pan , Dazheng Liu , Zhichao Feng , Wenjuan Liu , Shaoliang Peng

Accurately predicting the survival rate of cancer patients is crucial for aiding clinicians in planning appropriate treatment, reducing cancer-related medical expenses, and significantly enhancing patients' quality of life. Multimodal…

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Pathological complete response (pCR) is a key prognostic factor in breast cancer patients undergoing neoadjuvant therapy, strongly associated with long-term survival and treatment personalization. However, accurate pre-treatment pCR…

Computer Vision and Pattern Recognition · Computer Science 2026-05-11 Alice Natalina Caragliano , Valerio Guarrasi , Michela Gravina , Carlo Sansone , Paolo Soda

Accurate extraction of molecular representations is a critical step in the drug discovery process. In recent years, significant progress has been made in molecular representation learning methods, among which multi-modal molecular…

Machine Learning · Computer Science 2025-05-13 Rong Yin , Ruyue Liu , Xiaoshuai Hao , Xingrui Zhou , Yong Liu , Can Ma , Weiping Wang

Predicting the sensitivity of cancer cell lines to PLX-4720, a preclinical BRAF inhibitor, requires models capable of capturing the multilayered regulation of oncogenic signaling. Single-omics predictors are often insufficient because drug…

Cancer is a primary cause of human death, but discovering drugs and tailoring cancer therapies are expensive and time-consuming. We seek to facilitate the discovery of new drugs and treatment strategies for cancer using variational…

Machine Learning · Computer Science 2021-04-16 Hongyuan Dong , Jiaqing Xie , Zhi Jing , Dexin Ren

Drug combination therapies have shown promising therapeutic efficacy in complex diseases and have demonstrated the potential to reduce drug resistance. However, the huge number of possible drug combinations makes it difficult to screen them…

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Survival prediction for esophageal squamous cell cancer (ESCC) is crucial for doctors to assess a patient's condition and tailor treatment plans. The application and development of multi-modal deep learning in this field have attracted…

Image and Video Processing · Electrical Eng. & Systems 2024-08-27 Chengyu Wu , Yatao Zhang , Yaqi Wang , Qifeng Wang , Shuai Wang

Drug resistance is still a major challenge in cancer therapy. Drug combination is expected to overcome drug resistance. However, the number of possible drug combinations is enormous, and thus it is infeasible to experimentally screen all…

Genomics · Quantitative Biology 2018-11-20 Tianyu Zhang , Liwei Zhang , Philip R. O. Payne , Fuhai Li
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