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In the treatment of complex diseases, treatment regimens using a single drug often yield limited efficacy and can lead to drug resistance. In contrast, combination drug therapies can significantly improve therapeutic outcomes through…

Machine Learning · Computer Science 2026-04-24 Jiyan Song , Wenyang Wang , Chengcheng Yan , Zhiquan Han , Feifei Zhao

Drug combination therapy is a powerful solution for the treatment of complex disease such as cancers due to its capability of therapeutic efficacy and reducing side effects. Nevertheless, it is very difficult to screen all drug combinations…

Computational Engineering, Finance, and Science · Computer Science 2023-09-25 Jie Hu

Drug combination therapy has become a increasingly promising method in the treatment of cancer. However, the number of possible drug combinations is so huge that it is hard to screen synergistic drug combinations through wet-lab…

Machine Learning · Computer Science 2021-07-07 J. Wang , X. Liu , S. Shen , L. Deng , H. Liu*

Drug combination therapy is a well-established strategy for disease treatment with better effectiveness and less safety degradation. However, identifying novel drug combinations through wet-lab experiments is resource intensive due to the…

Machine Learning · Computer Science 2023-01-18 Zhihang Hu , Qinze Yu , Yucheng Guo , Taifeng Wang , Irwin King , Xin Gao , Le Song , Yu Li

Cancer treatments require personalized approaches based on a patient's clinical condition, medical history, and evidence-based guidelines. The National Comprehensive Cancer Network (NCCN) provides frequently updated, complex guidelines…

Information Retrieval · Computer Science 2025-02-25 Abdul M. Mohammed , Iqtidar Mansoor , Sarah Blythe , Dennis Trujillo

Synergistic drug combinations provide huge potentials to enhance therapeutic efficacy and to reduce adverse reactions. However, effective and synergistic drug combination prediction remains an open question because of the unknown causal…

Quantitative Methods · Quantitative Biology 2023-08-24 Zehao Dong , Heming Zhang , Yixin Chen , Philip R. O. Payne , Fuhai Li

Monoclonal antibodies constitute one of the most important strategies to treat patients suffering from cancers such as hematological malignancies and solid tumors. In order to guarantee the quality of those preparations prepared at…

Gastric cancer is one of the most commonly diagnosed cancers and has a high mortality rate. Due to limited medical resources, developing machine learning models for gastric cancer recognition provides an efficient solution for medical…

Machine Learning · Computer Science 2025-03-21 Yuxin Miao , Xinyuan Yang , Hongda Fan , Yichun Li , Yishu Hong , Xiechen Guo , Ali Braytee , Weidong Huang , Ali Anaissi

Gastric cancer and Colon adenocarcinoma represent widespread and challenging malignancies with high mortality rates and complex treatment landscapes. In response to the critical need for accurate prognosis in cancer patients, the medical…

Image and Video Processing · Electrical Eng. & Systems 2024-04-16 Xu Yan , Weimin Wang , MingXuan Xiao , Yufeng Li , Min Gao

Endoscopy is widely used to diagnose gastric cancer and has a high diagnostic performance, but it must be performed by a physician, which limits the number of people who can be diagnosed. In contrast, gastric X-rays can be taken by…

Image and Video Processing · Electrical Eng. & Systems 2025-02-06 Hideaki Okamoto , Quan Huu Cap , Takakiyo Nomura , Kazuhito Nabeshima , Jun Hashimoto , Hitoshi Iyatomi

Gastric endoscopic screening is an effective way to decide appropriate gastric cancer (GC) treatment at an early stage, reducing GC-associated mortality rate. Although artificial intelligence (AI) has brought a great promise to assist…

Image and Video Processing · Electrical Eng. & Systems 2023-08-16 Yujin Oh , Go Eun Bae , Kyung-Hee Kim , Min-Kyung Yeo , Jong Chul Ye

Predicting the solubility of given molecules remains crucial in the pharmaceutical industry. In this study, we revisited this extensively studied topic, leveraging the capabilities of contemporary computing resources. We employed two…

Quantitative Methods · Quantitative Biology 2024-01-08 John Ho , Zhao-Heng Yin , Colin Zhang , Nicole Guo , Yang Ha

Every day, poison control centers (PCC) are called for immediate classification and treatment recommendations if an acute intoxication is suspected. Due to the time-sensitive nature of these cases, doctors are required to propose a correct…

Drug combinations are frequently used for the treatment of cancer patients in order to increase efficacy, decrease adverse side effects, or overcome drug resistance. Given the enormous number of drug combinations, it is cost- and…

Molecular Networks · Quantitative Biology 2021-02-18 Peiran Jiang , Shujun Huang , Zhenyuan Fu , Zexuan Sun , Ted M. Lakowski , Pingzhao Hu

Artificial intelligence (AI) technology has demonstrated remarkable potential in drug dis-covery, where pharmacokinetics plays a crucial role in determining the dosage, safety, and efficacy of new drugs. A major challenge for AI-driven drug…

Quantitative Methods · Quantitative Biology 2024-04-17 Ruifeng Li , Dongzhan Zhou , Ancheng Shen , Ao Zhang , Mao Su , Mingqian Li , Hongyang Chen , Gang Chen , Yin Zhang , Shufei Zhang , Yuqiang Li , Wanli Ouyang

Medication mistaking is one of the risks that can result in unpredictable consequences for patients. To mitigate this risk, we develop an automatic system that correctly identifies pill-prescription from mobile images. Specifically, we…

Computer Vision and Pattern Recognition · Computer Science 2022-09-05 Trung Thanh Nguyen , Hoang Dang Nguyen , Thanh Hung Nguyen , Huy Hieu Pham , Ichiro Ide , Phi Le Nguyen

Graph neural networks (GNNs) have emerged as one of the most effective ML techniques for drug effect prediction from drug molecular graphs. Despite having immense potential, GNN models lack performance when using datasets that contain…

Machine Learning · Computer Science 2024-10-15 Avishek Bose , Guojing Cong

Cancer is responsible for millions of deaths worldwide every year. Although significant progress hasbeen achieved in cancer medicine, many issues remain to be addressed for improving cancer therapy.Appropriate cancer patient stratification…

Machine Learning · Computer Science 2021-01-18 David Oniani , Chen Wang , Yiqing Zhao , Andrew Wen , Hongfang Liu , Feichen Shen

Predicting whether two drugs interact (binary detection) is a substantially dif- ferent task from predicting the mechanism type of that interaction (multi-class classification). This study presents a systematic ablation study of three Graph…

Machine Learning · Computer Science 2026-05-28 Juergen Dietrich

With the advancement in drug development, multiple treatments are available for a single disease. Patients can often benefit from taking multiple treatments simultaneously. For example, patients in Clinical Practice Research Datalink (CPRD)…

Applications · Statistics 2018-04-17 Muxuan Liang , Ye Ting , Haoda Fu
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