Evidence map›Paper›PMID 31696595›Full record

ArticleAngewandte Chemie (International ed. in English)2020

Searching for Small Molecules with an Atomic Sort.

Brendan M Duggan, Reiko Cullum, William Fenical, Luis A Amador, Abimael D Rodríguez, James J La Clair

Erratum issuedOpen access · greenAbstract read
In one paragraph

Article in Angewandte Chemie (International ed. in English), 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. An erratum has been issued. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing papers in PubMed
0.4field-weighted citation impact, top 37% of its field
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

6 citing papers in PubMed, 13 citations in OpenAlex.

  1. Article
  2. Article
  3. Article
  4. Review
  5. Review
  6. Article
4 · The record

Corrections and comments

5 · Who and what money

Authors and funding

6 authors at 3 institutions in 2 countries.

Brendan M DugganSkaggs School of Pharmacy and Pharmaceutical Sciences, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA, 92093, USA.
Reiko CullumCenter for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, La Jolla, CA, 92093-0204, USA.
William FenicalCenter for Marine Biotechnology and Biomedicine, Scripps Institution of Oceanography, University of California, San Diego, La Jolla, CA, 92093-0204, USA.
Luis A AmadorMolecular Sciences Research Center, University of Puerto Rico, 1390 Ponce de León Avenue, San Juan, 00926, Puerto Rico.
Abimael D RodríguezMolecular Sciences Research Center, University of Puerto Rico, 1390 Ponce de León Avenue, San Juan, 00926, Puerto Rico.
James J La ClairDepartment of Chemistry and Biochemistry, University of California, San Diego, 9500 Gilman Drive, La Jolla, CA, 92093, USA.ORCID 0000-0001-6500-4107
Scripps Institution of Oceanography · USUniversity of California San Diego · USUniversity of Puerto Rico System · PR

Funding

Antitumor-Antibiotics from Marine MicroorganismsR37CA044848 · NCI · UNIVERSITY OF CALIFORNIA, SAN DIEGO · PI FENICAL, WILLIAM · 2004 to 2013
$3.9M
ANTITUMOR ANTIBIOTICS FROM MARINE ORGANISMSR01CA044848 · NCI · UNIVERSITY OF CALIFORNIA SAN DIEGO · PI FENICAL, WILLIAM · 1987 to 2003
$1.2M
New Leads Against Cancer and Infectious Diseases from Puerto Rican Reef SpeciesSC1GM086271 · NIGMS · UNIVERSITY OF PUERTO RICO RIO PIEDRAS · PI RODRIGUEZ, ABIMAEL D · 2010 to 2013
$1.2M
NCI NIH HHS R01 CA044848NCI NIH HHS R37 CA044848NIGMS NIH HHS SC1 GM086271
6 · The paper itself

Abstract

The discovery of biologically active small molecules requires sifting through large amounts of data to identify unique or unusual arrangements of atoms. Here, we develop, test and evaluate an atom-based sort to identify novel features of secondary metabolites and demonstrate its use to evaluate novelty in marine microbial and sponge extracts. This study outlines an important ongoing advance towards the translation of autonomous systems to identify, and ultimately elucidate, atomic novelty within a complex mixture of small molecules.

Indexed as

algorithmsdrug discoverymolecular search enginenatural productsNMR spectroscopy

Identifiers

PMID31696595
PMCPMC6942196
OpenAlexW2982760965

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.