Evidence map›Paper›PMID 40321506›Full record

ArticleACS omega2025

Fragment Libraries from Large and Novel Synthetic Compounds and Natural Products: A Comparative Chemoinformatic Analysis.

Verónica Ramírez-Cid, Ana L Chávez-Hernández, Osvaldo Sánchez López, Raul Marques Novais, Temitayo Omowumi Alegbejo Price, Kamilla Moraes Alves, Wemenes J Lima Silva, Flavio da Silva Emery, Carolina Horta Andrade, José L Medina-Franco

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In one paragraph

Article in ACS omega, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 1 paper.

0numbers the graph read from it
0cells of the map it votes in
1citing 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

1 citing paper in PubMed.

  1. 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

10 authors.

Verónica Ramírez-CidDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.
Ana L Chávez-HernándezDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.ORCID https://orcid.org/0000-0002-6202-1769
Osvaldo Sánchez LópezDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.
Raul Marques NovaisCenter for Research and Advancement in Fragments and Molecular Targets (CRAFT), School of Pharmaceutical Sciences at Ribeirao Preto, University of São Paulo, Ribeirão Preto, São Paulo 05508-060, Brazil.
Temitayo Omowumi Alegbejo PriceCenter for Research and Advancement in Fragments and Molecular Targets (CRAFT), School of Pharmaceutical Sciences at Ribeirao Preto, University of São Paulo, Ribeirão Preto, São Paulo 05508-060, Brazil.ORCID https://orcid.org/0000-0002-8750-0635
Kamilla Moraes AlvesCenter for Research and Advancement in Fragments and Molecular Targets (CRAFT), School of Pharmaceutical Sciences at Ribeirao Preto, University of São Paulo, Ribeirão Preto, São Paulo 05508-060, Brazil.
Wemenes J Lima SilvaCenter for Research and Advancement in Fragments and Molecular Targets (CRAFT), School of Pharmaceutical Sciences at Ribeirao Preto, University of São Paulo, Ribeirão Preto, São Paulo 05508-060, Brazil.
Flavio da Silva EmeryCenter for Research and Advancement in Fragments and Molecular Targets (CRAFT), School of Pharmaceutical Sciences at Ribeirao Preto, University of São Paulo, Ribeirão Preto, São Paulo 05508-060, Brazil.ORCID https://orcid.org/0000-0002-8652-7123
Carolina Horta AndradeCenter for Research and Advancement in Fragments and Molecular Targets (CRAFT), School of Pharmaceutical Sciences at Ribeirao Preto, University of São Paulo, Ribeirão Preto, São Paulo 05508-060, Brazil.ORCID https://orcid.org/0000-0003-0101-1492
José L Medina-FrancoDIFACQUIM Research Group, Department of Pharmacy, School of Chemistry, Universidad Nacional Autónoma de México, Mexico City 04510, Mexico.ORCID https://orcid.org/0000-0003-4940-1107

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

We report comprehensive fragment libraries obtained from large natural product databases and compare their chemical space coverage and diversity with those of synthetic fragment libraries. Specifically, we obtained 2,583,127 fragments derived from the recently updated collection of open natural product (COCONUT) data set with more than 695,133 unique (nonduplicate) natural products and 74,193 fragments derived from the Latin America Natural Product Database (LANaPDB) with 13,578 unique natural products from Latin America. The content, chemical space coverage, and chemical diversity of the natural product libraries were compared to the recently developed CRAFT library, which contains 1214 fragments based on distinct heterocyclic scaffolds and natural product-derived chemicals. The fragment libraries herein obtained and curated are freely available at https://github.com/DIFACQUIM/Fragment-libraries-from-large-synthetic-compounds-and-natural-products-collections.git.

Identifiers

PMID40321506
PMCPMC12044453

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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 OpenQuestion graph.