Evidence map›Paper›PMID 39732935›Full record

ArticleScientific reports2024

Synergizing quantum techniques with machine learning for advancing drug discovery challenge.

Zhiding Liang, Zichang He, Yue Sun, Dylan Herman, Qingyue Jiao, Yanzhang Zhu, Weiwen Jiang, Xiaowei Xu, Di Wu, Marco Pistoia and 1 more

Abstract read
In one paragraph

Article in Scientific reports, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing papers in PubMed
–field-weighted citation impact
1 · What the graph read from it

What it found

Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.

The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.

2 · The registry

The trial behind it

Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.

Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.

3 · Its place in the literature

Who cites it

2 citing papers in PubMed.

  1. Article
  2. Review
4 · The record

Corrections and comments

PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.

5 · Who and what money

Authors and funding

11 authors.

Zhiding LiangDepartment of Computer Science and Engineering, University of Notre Dame, Notre Dame, IN, 46556, USA.
Zichang HeJPMorgan Chase, Global Technology Applied Research, New York, NY, 10017, USA.
Yue SunJPMorgan Chase, Global Technology Applied Research, New York, NY, 10017, USA.
Dylan HermanJPMorgan Chase, Global Technology Applied Research, New York, NY, 10017, USA.
Qingyue JiaoDepartment of Computer Science and Engineering, University of Notre Dame, Notre Dame, IN, 46556, USA.
Yanzhang ZhuDepartment of Electrical and Computer Engineering, University of Central Florida, Orlando, FL, 32816, USA.
Weiwen JiangDepartment of Electrical and Computer Engineering, George Mason University, Fairfax, VA, 22030, USA.
Xiaowei XuGuangdong Provincial Key Laboratory of South China Structural Heart Disease, Guangdong Provincial People's Hospital (Guangdong Academy of Medical Sciences), South Medical University, Guangzhou, 510080, China. xiao.wei.xu@foxmail.com.
Di WuDepartment of Electrical and Computer Engineering, University of Central Florida, Orlando, FL, 32816, USA.
Marco PistoiaJPMorgan Chase, Global Technology Applied Research, New York, NY, 10017, USA.
Yiyu ShiDepartment of Computer Science and Engineering, University of Notre Dame, Notre Dame, IN, 46556, USA.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The Quantum Computing for Drug Discovery Challenge, held at the 42nd International Conference on Computer-Aided Design (ICCAD) in 2023, was a multi-month, research-intensive competition. Over 70 teams from more than 65 organizations from 12 different countries registered, focusing on the use of quantum computing for drug discovery. The challenge centered on designing algorithms to accurately estimate the ground state energy of molecules, specifically OH+, using quantum computing techniques. Participants utilized the IBM Qiskit platform within the constraints of the Noisy Intermediate Scale Quantum (NISQ) era, characterized by noise and limited quantum computing resources. The contest emphasized the importance of accurate estimation, efficient use of quantum resources, and the integration of machine learning techniques. This competition highlighted the potential of hybrid classical-quantum frameworks and machine learning in advancing quantum computing for practical applications, particularly in drug discovery.

Indexed as

Drug DiscoveryMachine LearningQuantum TheoryAlgorithmsComputer-Aided DesignHumans

Identifiers

PMID39732935
PMCPMC11682165

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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Registered trials

None linked

Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.