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Increasing volume of Electronic Health Records (EHR) in recent years provides great opportunities for data scientists to collaborate on different aspects of healthcare research by applying advanced analytics to these EHR clinical data. A…

Machine Learning · Computer Science 2019-10-01 Najibesadat Sadati , Milad Zafar Nezhad , Ratna Babu Chinnam , Dongxiao Zhu

Drug-target interaction (DTI) prediction has become a foundational task in drug repositioning, polypharmacology, drug discovery, as well as drug resistance and side-effect prediction. DTI identification using machine learning is gaining…

Quantitative Methods · Quantitative Biology 2023-11-17 Konstantin Y. Kalitin , Alexey A. Nevzorov , Denis A. Babkov , Alexander A. Spasov , Olga Y. Mukha

Drug prescriptions are essential information that must be encoded in electronic medical records. However, much of this information is hidden within free-text reports. This is why the medication extraction task has emerged. To date, most of…

Computation and Language · Computer Science 2021-10-22 Ali Can Kocabiyikoglu , François Portet , Raheel Qader , Jean-Marc Babouchkine

Illuminating the interconnections between drugs and genes is an important topic in drug development and precision medicine. Currently, computational predictions of drug-gene interactions mainly focus on the binding interactions without…

Machine Learning · Computer Science 2022-05-13 Jiahua Rao , Shuangjia Zheng , Sijie Mai , Yuedong Yang

With the increased affordability and availability of whole-genome sequencing, large-scale and high-throughput gene expression is widely used to characterize diseases, including cancers. However, establishing specificity in cancer diagnosis…

Machine Learning · Statistics 2018-12-21 Xi Chen , Jin Xie , Qingcong Yuan

Deep Learning based models are currently dominating most state-of-the-art solutions for disease prediction. Existing works employ RNNs along with multiple levels of attention mechanisms to provide interpretability. These deep learning…

Machine Learning · Statistics 2022-06-01 Subhadip Maji , Raghav Bali , Sree Harsha Ankem , Kishore V Ayyadevara

Accurate phenotype prediction from RNA sequencing (RNA-seq) data is essential for diagnosis, biomarker discovery, and personalized medicine. Deep learning models have demonstrated strong potential to outperform classical machine learning…

Machine Learning · Computer Science 2026-03-10 Kevin Dradjat , Massinissa Hamidi , Blaise Hanczar

Medical diagnosis is not a single prediction from a fully specified vignette. It is a sequential workup: clinicians decide what evidence to obtain, revise a differential diagnosis, and stop when the diagnosis is sufficiently supported. Most…

Computer Vision and Pattern Recognition · Computer Science 2026-05-25 Jiazhen Pan , Weixiang Shen , Jun Li , Julian Canisius , Felix Bitzer , Paula Roßmüller , Jiancheng Yang , Virginie Kreutzinger , Daniel Rueckert , Benedikt Wiestler

Understanding how small molecules perturb gene expression is essential for uncovering drug mechanisms, predicting off-target effects, and identifying repurposing opportunities. While prior deep learning frameworks have integrated multimodal…

Machine Learning · Computer Science 2026-01-01 Pascal Passigan , Kevin Zhu , Angelina Ning

Predicting drug response in patients from preclinical data remains a major challenge in precision oncology due to the substantial biological gap between in vitro cell lines and patient tumors. Rather than aiming to improve absolute in vitro…

Machine Learning · Computer Science 2026-03-18 Camille Jimenez Cortes , Philippe Lalanda , German Vega

We present a probabilistic programmed deep kernel learning approach to personalized, predictive modeling of neurodegenerative diseases. Our analysis considers a spectrum of neural and symbolic machine learning approaches, which we assess…

Machine Learning · Computer Science 2021-01-13 Alexander Lavin

Understanding disease similarity is critical for advancing diagnostics, drug discovery, and personalized treatment strategies. We present PhenoGnet, a novel graph-based contrastive learning framework designed to predict disease similarity…

Genomics · Quantitative Biology 2025-09-18 Ranga Baminiwatte , Kazi Jewel Rana , Aaron J. Masino

Since multidrug combination is widely applied, the accurate prediction of drug-drug interaction (DDI) is becoming more and more critical. In our method, we use graph to represent drug-drug interaction: nodes represent drug; edges represent…

Machine Learning · Computer Science 2022-09-01 Haifan zhou , Wenjing Zhou , Junfeng Wu

This paper addresses the challenges posed by the unstructured nature and high-dimensional semantic complexity of electronic health record texts. A deep learning method based on attention mechanisms is proposed to achieve unified modeling…

Computation and Language · Computer Science 2025-07-03 Ting Xu , Xiaoxiao Deng , Xiandong Meng , Haifeng Yang , Yan Wu

Despite considerable progress in genome- and proteome-based high-throughput screening methods and in rational drug design, the increase in approved drugs in the past decade did not match the increase of drug development costs. Network…

Molecular Networks · Quantitative Biology 2013-05-14 Peter Csermely , Tamas Korcsmaros , Huba J. M. Kiss , Gabor London , Ruth Nussinov

The knowledge of potentially druggable binding sites on proteins is an important preliminary step towards the discovery of novel drugs. The computational prediction of such areas can be boosted by following the recent major advances in the…

Biomolecules · Quantitative Biology 2021-02-17 Stelios K. Mylonas , Apostolos Axenopoulos , Petros Daras

Doctors typically write in incomprehensible handwriting, making it difficult for both the general public and some pharmacists to understand the medications they have prescribed. It is not ideal for them to write the prescription quietly and…

Computer Vision and Pattern Recognition · Computer Science 2022-10-24 Pavithiran G , Sharan Padmanabhan , Nuvvuru Divya , Aswathy V , Irene Jerusha P , Chandar B

Clinical trials are a systematic endeavor to assess the safety and efficacy of new drugs or treatments. Conducting such trials typically demands significant financial investment and meticulous planning, highlighting the need for accurate…

Machine Learning · Computer Science 2025-11-03 Tien Huu Do , Antoine Masquelier , Nae Eoun Lee , Jonathan Crowther

Massively multitask neural architectures provide a learning framework for drug discovery that synthesizes information from many distinct biological sources. To train these architectures at scale, we gather large amounts of data from public…

Machine Learning · Statistics 2015-02-10 Bharath Ramsundar , Steven Kearnes , Patrick Riley , Dale Webster , David Konerding , Vijay Pande

The research explores the utilization of a deep learning model employing an attention mechanism in medical text mining. It targets the challenge of analyzing unstructured text information within medical data. This research seeks to enhance…

Computation and Language · Computer Science 2024-06-04 Lingxi Xiao , Muqing Li , Yinqiu Feng , Meiqi Wang , Ziyi Zhu , Zexi Chen