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In drug discovery, highly automated high-throughput laboratories are used to screen a large number of compounds in search of effective drugs. These experiments are expensive, so one might hope to reduce their cost by only experimenting on a…

Machine Learning · Computer Science 2025-04-15 Ihor Neporozhnii , Julien Roy , Emmanuel Bengio , Jason Hartford

Accurate prediction of Drug-Target Affinity (DTA) is crucial for reducing experimental costs and accelerating early screening in computational drug discovery. While sequence-based deep learning methods avoid reliance on costly 3D…

Machine Learning · Computer Science 2025-11-03 Minghui Li , Yuanhang Wang , Peijin Guo , Wei Wan , Shengshan Hu , Shengqing Hu

Research in oncology has changed the focus from histological properties of tumors in a specific organ to a specific genomic aberration potentially shared by multiple cancer types. This motivates the basket trial, which assesses the efficacy…

Applications · Statistics 2020-02-11 Jin Jin , Marie-Karelle Riviere , Xiaodong Luo , Yingwen Dong

Clinical diagnosis, which aims to assign diagnosis codes for a patient based on the clinical note, plays an essential role in clinical decision-making. Considering that manual diagnosis could be error-prone and time-consuming, many…

Computation and Language · Computer Science 2021-01-28 Yichao Du , Pengfei Luo , Xudong Hong , Tong Xu , Zhe Zhang , Chao Ren , Yi Zheng , Enhong Chen

Bayesian dynamic borrowing methods incorporate historical control data into current clinical trial analyses while allowing the degree of borrowing to depend on the compatibility between historical and current data. Although many methods…

Methodology · Statistics 2026-05-27 Tomohiro Ohigashi , Wataru Murasaki , Masahiko Gosho

Developing new drugs for target diseases is a time-consuming and expensive task, drug repurposing has become a popular topic in the drug development field. As much health claim data become available, many studies have been conducted on the…

Machine Learning · Computer Science 2023-02-22 Yaobin Ling , Pulakesh Upadhyaya , Luyao Chen , Xiaoqian Jiang , Yejin Kim

Aims: Combinations of treatments can offer additional benefit over the treatments individually. However, trials of these combinations are lower priority than the development of novel therapies, which can restrict funding, timelines and…

The increasing prevalence of rich sources of data and the availability of electronic medical record databases and electronic registries opens tremendous opportunities for enhancing medical research. For example, controlled trials are…

Methodology · Statistics 2015-09-23 Liwen Ouyang , Daniel W. Apley , Sanjay Mehrotra

With the recent availability of Electronic Health Records (EHR) and great opportunities they offer for advancing medical informatics, there has been growing interest in mining EHR for improving quality of care. Disease diagnosis due to its…

Artificial Intelligence · Computer Science 2018-04-24 Anahita Hosseini , Ting Chen , Wenjun Wu , Yizhou Sun , Majid Sarrafzadeh

We propose Locally Optimal Restricted Designs (LORDs) for phase I/II dose-finding studies that focus on both efficacy and toxicity outcomes. As an illustrative application, we find various LORDs for a 4-parameter continuation-ratio (CR)…

Methodology · Statistics 2025-09-09 Oleksandr Sverdlov , Yevgen Ryeznik , Weng Kee Wong

Historical data from previous clinical trials, observational studies and health records may be utilized in analysis of clinical trials data to strengthen inference. Under the Bayesian framework incorporation of information obtained from any…

Applications · Statistics 2021-03-23 Shirin Golchi

Clinical notes in electronic health records contain highly heterogeneous writing styles, including non-standard terminology or abbreviations. Using these notes in predictive modeling has traditionally required preprocessing (e.g. taking…

Machine Learning · Computer Science 2019-11-18 Jonas Kemp , Alvin Rajkomar , Andrew M. Dai

Novel dose-finding designs, using estimation to assign the best estimated maximum- tolerated-dose (MTD) at each point in the experiment, most commonly via Bayesian techniques, have recently entered large-scale implementation in Phase I…

Methodology · Statistics 2017-01-24 Assaf P. Oron , Peter D. Hoff

Bayesian dynamic borrowing has become an increasingly important tool for evaluating the consistency of regional treatment effects which is a key requirement for local regulatory approval of a new drug. It helps increase the precision of…

Methodology · Statistics 2026-01-06 Xin Zhang , Hui Zhang , Satrajit Roychoudhury

Background: Phase I trials desire to identify the maximum tolerated dose (MTD) early and proceed quickly to an expansion cohort or phase II trial for efficacy. We propose an early completion method based on multiple dosages to accelerate…

Quantitative Methods · Quantitative Biology 2021-10-04 Masahiro Kojima

Recent advances on deep learning models come at the price of formidable training cost. The increasing model size is one of the root causes, but another less-emphasized fact is that data scale is actually increasing at a similar speed as…

Machine Learning · Computer Science 2024-01-17 Conglong Li , Zhewei Yao , Xiaoxia Wu , Minjia Zhang , Connor Holmes , Cheng Li , Yuxiong He

Lack of diversity in data collection has caused significant failures in machine learning (ML) applications. While ML developers perform post-collection interventions, these are time intensive and rarely comprehensive. Thus, new methods to…

Human-Computer Interaction · Computer Science 2023-08-01 Aspen Hopkins , Fred Hohman , Luca Zappella , Xavier Suau Cuadros , Dominik Moritz

Motivation: Disease diagnosis oriented dialogue system models the interactive consultation procedure as Markov Decision Process and reinforcement learning algorithms are used to solve the problem. Existing approaches usually employ a flat…

Artificial Intelligence · Computer Science 2023-11-08 Cheng Zhong , Kangenbei Liao , Wei Chen , Qianlong Liu , Baolin Peng , Xuanjing Huang , Jiajie Peng , Zhongyu Wei

Past studies on the ICD coding problem focus on predicting clinical codes primarily based on the discharge summary. This covers only a small fraction of the notes generated during each hospital stay and leaves potential for improving…

Machine Learning · Computer Science 2023-02-27 Clarence Boon Liang Ng , Diogo Santos , Marek Rei

Phase 1-2 designs provide a methodological advance over phase 1 designs for dose finding by using both clinical response and toxicity. A phase 1-2 trial still may fail to select a truly optimal dose. because early response is not a perfect…

Applications · Statistics 2024-04-03 Cheng-Han Yang , Peter F. Thall , Ruitao Lin