Evidence map›Paper›PMID 37384816›Full record

ReviewChemical reviews2023

Machine Learning Methods for Small Data Challenges in Molecular Science.

Bozheng Dou, Zailiang Zhu, Ekaterina Merkurjev, Lu Ke, Long Chen, Jian Jiang, Yueying Zhu, Jie Liu, Bengong Zhang, Guo-Wei Wei

Abstract readReview
In one paragraph

Review in Chemical reviews, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 107 papers, 1 of them a synthesis that pooled it.

0numbers the graph read from it
0cells of the map it votes in
107citing papers in PubMed, 1 pooled it
–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

107 citing papers in PubMed, 1 synthesis or guideline pooled it.

  1. Pooled it
  2. Article
  3. Article
  4. Artificial intelligence-assisted lead optimization in drug discovery: bridging computational advances and translational challenges.Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents · 2026
    Review
  5. Article
  6. Review
  7. Article
  8. Discovery of a phenazine-thiol conjugase from sparse data using genome-informed machine learning.Proceedings of the National Academy of Sciences of the United States of America · 2026
    Article
  9. Article
  10. Article
  11. Review
  12. Article
  13. Review
  14. Article
  15. Article
  16. Review
  17. Article
  18. Recent Advances in Decoupling Strategies for Soft Sensors.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Review
  19. Review
  20. Review

47 more citing papers are in PubMed but not listed here.

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

10 authors.

Bozheng DouResearch Center of Nonlinear Science, School of Mathematical and Physical Sciences,Wuhan Textile University, Wuhan 430200, P, R. China.
Zailiang ZhuResearch Center of Nonlinear Science, School of Mathematical and Physical Sciences,Wuhan Textile University, Wuhan 430200, P, R. China.
Ekaterina MerkurjevDepartment of Mathematics, Michigan State University, East Lansing, Michigan 48824, United States.
Lu KeResearch Center of Nonlinear Science, School of Mathematical and Physical Sciences,Wuhan Textile University, Wuhan 430200, P, R. China.
Long ChenResearch Center of Nonlinear Science, School of Mathematical and Physical Sciences,Wuhan Textile University, Wuhan 430200, P, R. China.
Jian JiangResearch Center of Nonlinear Science, School of Mathematical and Physical Sciences,Wuhan Textile University, Wuhan 430200, P, R. China.
Yueying ZhuResearch Center of Nonlinear Science, School of Mathematical and Physical Sciences,Wuhan Textile University, Wuhan 430200, P, R. China.
Jie LiuResearch Center of Nonlinear Science, School of Mathematical and Physical Sciences,Wuhan Textile University, Wuhan 430200, P, R. China.
Bengong ZhangResearch Center of Nonlinear Science, School of Mathematical and Physical Sciences,Wuhan Textile University, Wuhan 430200, P, R. China.
Guo-Wei WeiDepartment of Mathematics, Michigan State University, East Lansing, Michigan 48824, United States.ORCID 0000-0002-5781-2937

Funding

AI-based platform for predicting emerging vaccine-escape variants and designing mutation-proof antibodiesR01AI164266 · NIAID · UNIVERSITY OF GEORGIA · PI Guowei Wei, YONG-HUI ZHENG · 2022 to 2026
$2.7M
Discovery-Driven Mathematics and Artificial Intelligence for Biosciences and Drug DiscoveryR35GM148196 · NIGMS · UNIVERSITY OF GEORGIA · PI Guowei Wei · 2023 to 2026
$1.5M
Synergistic integration of topology and machine learning for the predictions of protein-ligand binding affinities and mutation impactsR01GM126189 · NIGMS · MICHIGAN STATE UNIVERSITY · PI WEI, GUOWEI · 2018 to 2021
$1.4M
NIAID NIH HHS R01 AI164266NIGMS NIH HHS R01 GM126189NIGMS NIH HHS R35 GM148196
6 · The paper itself

Abstract

Small data are often used in scientific and engineering research due to the presence of various constraints, such as time, cost, ethics, privacy, security, and technical limitations in data acquisition. However, big data have been the focus for the past decade, small data and their challenges have received little attention, even though they are technically more severe in machine learning (ML) and deep learning (DL) studies. Overall, the small data challenge is often compounded by issues, such as data diversity, imputation, noise, imbalance, and high-dimensionality. Fortunately, the current big data era is characterized by technological breakthroughs in ML, DL, and artificial intelligence (AI), which enable data-driven scientific discovery, and many advanced ML and DL technologies developed for big data have inadvertently provided solutions for small data problems. As a result, significant progress has been made in ML and DL for small data challenges in the past decade. In this review, we summarize and analyze several emerging potential solutions to small data challenges in molecular science, including chemical and biological sciences. We review both basic machine learning algorithms, such as linear regression, logistic regression (LR),

Indexed as

Artificial IntelligenceMachine LearningAlgorithmsElectric Power SuppliesNeural Networks, Computer

Identifiers

PMID37384816
PMCPMC10999174

What OpenQuestion holds

Textmetadata
LicenceTDM
Read underepoch 390

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.