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In the present study, we have described how by using molecular docking and molecular dynamic (MD) simulation studies the combination drug of ivermectin and doxycycline can be used as a potential inhibitor for SARS-CoV-2 virus. In lieu of…

Biological Physics · Physics 2020-12-02 Meenakshi Rana , Pooja , Papia Chowdhury

Infections from parasitic nematodes (or roundworms) contribute to a significant disease burden and productivity losses for humans and livestock. The limited number of anthelmintics (or antinematode drugs) available today to treat these…

Quantitative Methods · Quantitative Biology 2022-05-30 Xianting Ding , Zach Njus , Taejoon Kong , Wenqiong Su , Chih-Ming Ho , Santosh Pandey

We introduce a novel contextual embedding model med-gte-hybrid that was derived from the gte-large sentence transformer to extract information from unstructured clinical narratives. Our model tuning strategy for med-gte-hybrid combines…

Computation and Language · Computer Science 2025-12-02 Aditya Kumar , Simon Rauch , Mario Cypko , Oliver Amft

In the drug repurposing approach, the chemically diverse and potentially safe molecules can be explored as therapeutic potential out of those originally targeted indications. However, the intellectual property rights, and competitive…

Biomolecules · Quantitative Biology 2021-03-19 Surendra Kumar , Cheongyun Jang , Lalita Subedi , Sun Yeou Kim , Mi-hyun Kim

Performance of multicell systems is inevitably limited by interference and available resources. Although intercell interference can be mitigated by Base Station (BS) Coordination, the demand on inter-BS information exchange and…

Information Theory · Computer Science 2014-07-10 Mohammad Hossein Akbari , Vahid Tabataba Vakili

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

The purpose of this study was to quantitatively evaluate the performance of different simultaneous spatial and temporal regularizers in liver perfusion studies using low-dose dynamic contrast-enhanced computed tomography (DCE-CT). A digital…

Medical Physics · Physics 2023-10-20 Kenya Murase , Atsushi Nakamoto , Noriyuki Tomiyama

Vision Transformers (ViTs) have emerged as popular models in computer vision, demonstrating state-of-the-art performance across various tasks. This success typically follows a two-stage strategy involving pre-training on large-scale…

Computer Vision and Pattern Recognition · Computer Science 2024-02-07 Zijun Long , Zaiqiao Meng , Gerardo Aragon Camarasa , Richard McCreadie

This paper introduces entropy balancing for continuous treatments (EBCT) by extending the original entropy balancing methodology of Hainm\"uller (2012). In order to estimate balancing weights, the proposed approach solves a globally convex…

Econometrics · Economics 2020-05-29 Stefan Tübbicke

Estimating individualised treatment effect (ITE) -- that is the causal effect of a set of variables (also called exposures, treatments, actions, policies, or interventions), referred to as \textit{composite treatments}, on a set of outcome…

Machine Learning · Computer Science 2025-12-19 Vinod Kumar Chauhan , Lei Clifton , Gaurav Nigam , David A. Clifton

Phase Ib/II oncology trials, despite their small sample sizes, aim to provide information for optimal internal company decision-making concerning novel drug development. Hybrid controls (a combination of the current control arm and controls…

The instrumental variable (IV) design is a common approach to address hidden confounding bias. For validity, an IV must impact the outcome only through its association with the treatment. In addition, IV identification has required a…

Vision Transformers (ViTs) are built by stacking independently parameterized blocks, but it remains unclear how much of this depth requires layer specific transformations and how much can be realized through recurrent computation. We study…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Michal Byra , Pawel Olszowiec , Grzegorz Stefanski , Grzegorz Gruszczynski , Alberto Presta

HIV integrase is a 32 kDa protein produced from the C-terminal portion of the Pol gene product, and is an attractive target for new anti-HIV drugs. Integrase is an enzyme produced by a retrovirus (such as HIV) that enables its genetic…

Biomolecules · Quantitative Biology 2012-10-12 Subhomoi Borkotoky

Hepatocellular carcinoma (HCC) is the most common primary liver malignancy and is a leading cause of cancer-related death worldwide. However, cure is not possible with currently used therapies, and there is not so much approved targeted…

Genomics · Quantitative Biology 2017-07-18 Liang Yu , Fengdan Xu , Lin Gao

A combination of transient photovoltage (TPV), voltage dependent charge extraction (CE) and time delayed collection field (TDCF) measurements is applied to poly[[4,8-bis[(2-ethylhexyl)oxy]benzo[1,2-b:4,5-b']dithiophene-2,6-diyl]…

Applied Physics · Physics 2021-06-21 A. Foertig , J. Kniepert , M. Gluecker , T. Brenner , V. Dyakonov , D. Neher , C. Deibel

Many clinical questions involve estimating the effects of multiple treatments using observational data. When using longitudinal data, the interest is often in the effect of treatment strategies that involve sustaining treatment over time.…

Methodology · Statistics 2024-05-03 Emily Granger , Gwyneth Davies , Ruth H. Keogh

Marginal structural models (MSMs) with inverse probability weighting offer an approach to estimating causal effects of treatment sequences on repeated outcome measures in the presence of time-varying confounding and dependent censoring.…

Methodology · Statistics 2018-07-02 Sean Yiu , Li Su

Heterogeneous treatment effects (HTEs) are commonly identified during randomized controlled trials (RCTs). Identifying subgroups of patients with similar treatment effects is of high interest in clinical research to advance precision…

Machine Learning · Computer Science 2022-12-06 Peniel N. Argaw , Elizabeth Healey , Isaac S. Kohane

There is growing interest in a hybrid control design for treatment evaluation, where a randomized controlled trial is augmented with external control data from a previous trial or a real world data source. The hybrid control design has the…

Methodology · Statistics 2026-05-06 Zhiwei Zhang , Peisong Han , Wei Zhang
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