Evidence map›Paper›PMID 36893084›Full record

ArticlePloS one2023

Not getting in too deep: A practical deep learning approach to routine crystallisation image classification.

Jamie Milne, Chen Qian, David Hargreaves, Yinhai Wang, Julie Wilson

Abstract read
In one paragraph

Article in PloS one, 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.

0numbers the graph read from it
0cells of the map it votes in
5citing 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

5 citing papers in PubMed.

  1. Article
  2. Article
  3. Article
  4. Deep learning applications in protein crystallography.Acta crystallographica. Section A, Foundations and advances · 2024
    Review
  5. Moving beyond MARCO.PloS one · 2023
    Article
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

5 authors.

Jamie MilneDepartment of Mathematics, University of York, York, United Kingdom.ORCID 0000-0002-2726-874X
Chen QianAstraZeneca, Cambridge, United Kingdom.ORCID 0000-0003-2663-7694
David HargreavesAstraZeneca, Cambridge, United Kingdom.ORCID 0000-0003-4441-0039
Yinhai WangAstraZeneca, Cambridge, United Kingdom.ORCID 0000-0002-3671-4932
Julie WilsonDepartment of Mathematics, University of York, York, United Kingdom.ORCID 0000-0002-5171-8480

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

Using a relatively small training set of ~16 thousand images from macromolecular crystallisation experiments, we compare classification results obtained with four of the most widely-used convolutional deep-learning network architectures that can be implemented without the need for extensive computational resources. We show that the classifiers have different strengths that can be combined to provide an ensemble classifier achieving a classification accuracy comparable to that obtained by a large consortium initiative. We use eight classes to effectively rank the experimental outcomes, thereby providing detailed information that can be used with routine crystallography experiments to automatically identify crystal formation for drug discovery and pave the way for further exploration of the relationship between crystal formation and crystallisation conditions.

Indexed as

Deep LearningNeural Networks, Computer

Identifiers

PMID36893084
PMCPMC9997964

What OpenQuestion holds

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LicenceCC BY
Read underepoch 390

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 OpenQuestion graph.