Evidence map›Paper›PMID 42357258›Full record

ReviewPharmaceutics2026

Toward an AI Era: Application of Artificial Intelligence in Inclusion Complex Screening.

Naixuan Deng, Yeqi Huang, Yue Gao, Hongluo Li, Wenjing Wang, Minjing Cheng, Chuanbin Wu, Xin Pan, Ling Guo, Junhuang Jiang and 1 more

Abstract readReview
In one paragraph

Review in Pharmaceutics, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Not yet cited in PubMed.

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

0 citing papers in PubMed.

No citing paper in PubMed yet.

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.

Naixuan DengState Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, College of Pharmacy, Jinan University, Guangzhou 511443, China.
Yeqi HuangState Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, College of Pharmacy, Jinan University, Guangzhou 511443, China.
Yue GaoState Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, College of Pharmacy, Jinan University, Guangzhou 511443, China.
Hongluo LiSchool of Automobile and Transportation Engineering, Guangdong Polytechnic Normal University, No. 293, Zhongshan Avenue West, Tianhe District, Guangzhou 510665, China.
Wenjing WangState Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, College of Pharmacy, Jinan University, Guangzhou 511443, China.
Minjing ChengState Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, College of Pharmacy, Jinan University, Guangzhou 511443, China.ORCID 0009-0008-0072-7433
Chuanbin WuState Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, College of Pharmacy, Jinan University, Guangzhou 511443, China.
Xin PanSchool of Pharmaceutical Sciences, Sun Yat-Sen University, Guangzhou 510275, China.
Ling GuoKey Laboratory of Tropical Biological Resources of Ministry of Education, School of Pharmaceutical Sciences, Hainan University, Haikou 570228, China.ORCID 0000-0002-2111-9604
Junhuang JiangState Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, College of Pharmacy, Jinan University, Guangzhou 511443, China.ORCID 0000-0002-1772-8482
Zhengwei HuangState Key Laboratory of Bioactive Molecules and Druggability Assessment, Guangdong Basic Research Center of Excellence for Natural Bioactive Molecules and Discovery of Innovative Drugs, College of Pharmacy, Jinan University, Guangzhou 511443, China.

Funding

Open Fund of Henan Key Laboratory of Biomarker Detection and Diagnosis for Neurodegenerative Diseases HKLBDDND-202504Science and Technology Projects in Guangzhou 202102070001State Key Laboratory of Bioactive Molecules and Druggability Assessment, Jinan University SKLBMDA-2025112Young Talents Program (Level II) of Jinan University JNYC-2025579
6 · The paper itself

Abstract

Supramolecular inclusion complexes are widely used in drug delivery and other fields, with the advantages of controllable structures, high stability, excellent biocompatibility, and the ability to improve drug solubility and achieve controlled release. However, traditional screening methods rely on experimental trial and error, which suffer from long cycles, high costs, and low throughput, limiting research and development efficiency. In recent years, the development of artificial intelligence has provided new solutions for the screening of inclusion complexes. This paper systematically reviewed the core technological system of AI in the screening of inclusion complexes, focusing on two aspects: prediction and optimization of key properties and rational design of host molecules, summarizing their specific application progress. At the same time, we analyzed the current core challenges, including data scarcity, insufficient model interpretability, and limited generalization capabilities, and propose future development directions such as building standardized databases, integrating physicochemical principles (e.g., molecular mechanics and thermodynamics), and establishing closed-loop research and development platforms. This review aims to provide a systematic reference for the in-depth application of artificial intelligence in the field of supramolecular inclusion complexes.

Indexed as

artificial intelligencedeep learninginclusion complexesmachine learningrational designvirtual screening

Identifiers

PMID42357258
PMCPMC13304643

What OpenQuestion holds

Textmetadata
LicenceCC BY
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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.