Evidence mapPaperPMID 41943129Full record

ArticleJournal of cheminformatics2026

Is scaffold hopping possible in machine learning using the electronic-structure-informatics (ESI) descriptor set? an application to natural-product-based drug discovery of α-glucosidase inhibitors.

Yusuke Tateishi, Manabu Sugimoto

Abstract read
In one paragraph

Article in Journal of cheminformatics, 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

2 authors.

Yusuke TateishiGraduate School of Science and Technology, Kumamoto University, 2-39-1 Kurokami, Chuo-ku, Kumamoto, 860-8555, Japan. 247d9403@st.kumamoto-u.ac.jp.
Manabu SugimotoGraduate School of Science and Technology, Kumamoto University, 2-39-1 Kurokami, Chuo-ku, Kumamoto, 860-8555, Japan. m-sugimoto@daiichi-cps.ac.jp.

Funding

Japan Science and Technology Agency JPMJBS2408Ministry of Education, Culture, Sports, Science and Technology, Japan JP24H01782
6 · The paper itself

Abstract

The electronic-structure informatics (ESI) descriptor set was applied to discover novel α-glucosidase inhibitors from a natural product (NP) database. The in silico screening was carried out through regression modelling for inhibitory activity (pIC

Identifiers

PMID41943129
PMCPMC13182042

What Socratic holds

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Registered trials

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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 Socratic graph.