Evidence map›Paper›PMID 38189543›Full record

ReviewBriefings in bioinformatics2023

Attention is all you need: utilizing attention in AI-enabled drug discovery.

Yang Zhang, Caiqi Liu, Mujiexin Liu, Tianyuan Liu, Hao Lin, Cheng-Bing Huang, Lin Ning

Erratum issuedAbstract readReview
In one paragraph

Review in Briefings in bioinformatics, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 54 papers.

0numbers the graph read from it
0cells of the map it votes in
54citing 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

54 citing papers in PubMed.

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4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

7 authors.

Yang ZhangInnovative Institute of Chinese Medicine and Pharmacy, Academy for Interdiscipline, Chengdu University of Traditional Chinese Medicine, Chengdu, China.
Caiqi LiuDepartment of Gastrointestinal Medical Oncology, Harbin Medical University Cancer Hospital, No.150 Haping Road, Nangang District, Harbin, Heilongjiang 150081, China.
Mujiexin LiuChongqing Key Laboratory of Sichuan-Chongqing Co-construction for Diagnosis and Treatment of Infectious Diseases Integrated Traditional Chinese and Western Medicine, College of Medical Technology, Chengdu University of Traditional Chinese Medicine, Chengdu, China.
Tianyuan LiuGraduate School of Science and Technology, University of Tsukuba, Tsukuba, Japan.
Hao LinSchool of Life Science and Technology, University of Electronic Science and Technology of China, Chengdu 610054, China.ORCID 0000-0001-6265-2862
Cheng-Bing HuangSchool of Computer Science and Technology, Aba Teachers University, Aba, China.
Lin NingYangtze Delta Region Institute (Quzhou), University of Electronic Science and Technology of China, Quzhou, Zhejiang, China.

Funding

China Postdoctoral Science Foundation 2023 M730507National Natural Science Foundation of China 62202069Natural Science Foundation of Sichuan Province 2022NSFSC1610Sichuan Province Postdoctoral Research Project Special Support Foundation TB2023012
6 · The paper itself

Abstract

Recently, attention mechanism and derived models have gained significant traction in drug development due to their outstanding performance and interpretability in handling complex data structures. This review offers an in-depth exploration of the principles underlying attention-based models and their advantages in drug discovery. We further elaborate on their applications in various aspects of drug development, from molecular screening and target binding to property prediction and molecule generation. Finally, we discuss the current challenges faced in the application of attention mechanisms and Artificial Intelligence technologies, including data quality, model interpretability and computational resource constraints, along with future directions for research. Given the accelerating pace of technological advancement, we believe that attention-based models will have an increasingly prominent role in future drug discovery. We anticipate that these models will usher in revolutionary breakthroughs in the pharmaceutical domain, significantly accelerating the pace of drug development.

Indexed as

Artificial IntelligenceDrug DiscoveryData AccuracyDrug DevelopmentArtificial Intelligenceattention mechanismdrug discoverymolecular representationmolecule generationtransformer

Identifiers

PMID38189543
PMCPMC10772984

What OpenQuestion holds

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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.