Evidence map›Paper›PMID 38950281›Full record

ArticleJournal of chemical information and modeling2024

Ligand-Based Compound Activity Prediction via Few-Shot Learning.

Peter Eckmann, Jake Anderson, Rose Yu, Michael K Gilson

Abstract read
In one paragraph

Article in Journal of chemical information and modeling, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 3 papers.

0numbers the graph read from it
0cells of the map it votes in
3citing 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

3 citing papers in PubMed.

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

Corrections and comments

5 · Who and what money

Authors and funding

4 authors.

Peter EckmannDepartment of Computer Science and Engineering, UC San Diego, La Jolla, California 92093, United States.ORCID 0000-0002-5388-9451
Jake AndersonDepartment of Chemistry and Biochemistry, UC San Diego, La Jolla, California 92093, United States.ORCID 0000-0003-2547-0001
Rose YuDepartment of Computer Science and Engineering, UC San Diego, La Jolla, California 92093, United States.
Michael K GilsonDepartment of Chemistry and Biochemistry, UC San Diego, La Jolla, California 92093, United States.ORCID 0000-0002-3375-1738

Funding

THEORY AND MODELING OF NONCOVALENT BINDINGR01GM061300 · NIGMS · UNIVERSITY OF MD BIOTECHNOLOGY INSTITUTE · PI GILSON, MICHAEL K. · 2000 to 2021
$7.2M
NIGMS NIH HHS R01 GM061300
6 · The paper itself

Abstract

Predicting the activities of new compounds against biophysical or phenotypic assays based on the known activities of one or a few existing compounds is a common goal in early stage drug discovery. This problem can be cast as a "few-shot learning" challenge, and prior studies have developed few-shot learning methods to classify compounds as active versus inactive. However, the ability to go beyond classification and rank compounds by expected affinity is more valuable. We describe

Indexed as

Drug DiscoveryLigandsMachine LearningNeural Networks, ComputerLigands

Identifiers

PMID38950281
PMCPMC11267577

What OpenQuestion holds

Textmetadata
LicenceCC BY-NC-ND
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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.