Evidence map›Paper›PMID 40085003›Full record

ArticleJournal of chemical information and modeling2025

Employing Automated Machine Learning (AutoML) Methods to Facilitate the

Herim Han, Bilal Shaker, Jin Hee Lee, Sunghwan Choi, Sanghee Yoon, Maninder Singh, Shaherin Basith, Minghua Cui, Sunil Ahn, Junyoung An and 3 more

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 17 papers.

0numbers the graph read from it
0cells of the map it votes in
17citing 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

17 citing papers in PubMed.

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  11. Learned Conformational Space and Pharmacophore Into Molecular Foundational Model.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  12. Review
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  14. Article
  15. Assay2Mol: Large Language Model-based Drug Design Using BioAssay Context.Proceedings of the Conference on Empirical Methods in Natural Language Processing. Conference on Empirical Methods in Natural Language Processing · 2025
    Article
  16. Article
  17. 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

13 authors.

Herim HanNamuICT R&D Center, NamuICT, Seoul 07793, Republic of Korea.
Bilal ShakerGlobal AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.ORCID 0000-0002-3281-6982
Jin Hee LeeIldong Pharmaceutical Co. Ltd., Hwaseong 18449, Republic of Korea.
Sunghwan ChoiDepartment of Chemistry, Inha University, 100 Inha-ro, Incheon 22212, Michuhol-gu, Republic of Korea.ORCID 0000-0002-4330-7710
Sanghee YoonGlobal AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.ORCID 0000-0003-1882-887X
Maninder SinghGlobal AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.ORCID 0000-0002-8093-3665
Shaherin BasithGlobal AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.
Minghua CuiGlobal AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.
Sunil AhnKorea Institute of Science and Technology Information, Daejeon 34141, Republic of Korea.
Junyoung AnGlobal AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.ORCID 0000-0003-0310-8781
Soosung KangGlobal AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.ORCID 0000-0001-7016-2417
Min Sun YeomNamuICT R&D Center, NamuICT, Seoul 07793, Republic of Korea.
Sun ChoiGlobal AI Drug Discovery Center, College of Pharmacy and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea.ORCID 0000-0002-7669-7954

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

The rationale for using ADMET prediction tools in the early drug discovery paradigm is to guide the design of new compounds with favorable ADMET properties and ultimately minimize the attrition rates of drug failures. Artificial intelligence (AI) in

Indexed as

Computer SimulationDrug DiscoveryMachine LearningAlgorithmsAutomationPharmaceutical PreparationsPharmaceutical Preparations

Identifiers

PMID40085003
PMCPMC12004515

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.