Evidence map›Paper›PMID 39278938›Full record

ArticleNature communications2024

Data-driven discovery of potent small molecule ice recrystallisation inhibitors.

Matthew T Warren, Caroline I Biggs, Akalabya Bissoyi, Matthew I Gibson, Gabriele C Sosso

Abstract read
In one paragraph

Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.

0numbers the graph read from it
0cells of the map it votes in
7citing 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

7 citing papers in PubMed.

  1. Article
  2. Lessons From Drug Discovery for Cryoprotective Agent Design: An AI-Oriented Perspective.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2026
    Article
  3. Article
  4. Review
  5. Principles Underlying Cryopreservation and Freeze-Drying of Cells.Methods in molecular biology (Clifton, N.J.) · 2026
    Review
  6. Article
  7. 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.

Matthew T WarrenDepartment of Chemistry, University of Warwick, Coventry, UK.ORCID 0000-0002-5860-7468
Caroline I BiggsDepartment of Chemistry, University of Warwick, Coventry, UK.ORCID 0000-0002-8007-3132
Akalabya BissoyiManchester Institute of Biotechnology, University of Manchester, Manchester, UK.ORCID 0000-0002-0909-8556
Matthew I GibsonDepartment of Chemistry, University of Warwick, Coventry, UK. matt.gibson@manchester.ac.uk.ORCID 0000-0002-8297-1278
Gabriele C SossoDepartment of Chemistry, University of Warwick, Coventry, UK. g.sosso@warwick.ac.uk.ORCID 0000-0002-6156-7399

Funding

EC | EU Framework Programme for Research and Innovation H2020 | H2020 Priority Excellent Science | H2020 European Research Council (H2020 Excellent Science - European Research Council) 866056RCUK | Engineering and Physical Sciences Research Council (EPSRC) EP/P020232/1RCUK | Engineering and Physical Sciences Research Council (EPSRC) EP/R029407/1RCUK | Medical Research Council (MRC) MR/S502534/1Royal Society 191037
6 · The paper itself

Abstract

Controlling the formation and growth of ice is essential to successfully cryopreserve cells, tissues and biologics. Current efforts to identify materials capable of modulating ice growth are guided by iterative changes and human intuition, with a major focus on proteins and polymers. With limited data, the discovery pipeline is constrained by a poor understanding of the mechanisms and the underlying structure-activity relationships. In this work, this barrier is overcome by constructing machine learning models capable of predicting the ice recrystallisation inhibition activity of small molecules. We generate a new dataset via experimental measurements of ice growth, then harness predictive models combining state-of-the-art descriptors with domain-specific features derived from molecular simulations. The models accurately identify potent small molecule ice recrystallisation inhibitors within a commercial compound library. Identified hits can also mitigate cellular damage during transient warming events in cryopreserved red blood cells, demonstrating how data-driven approaches can be used to discover innovative cryoprotectants and enable next-generation cryopreservation solutions for the cold chain.

Indexed as

CryopreservationCryoprotective AgentsCrystallizationIceDrug DiscoveryErythrocytesHumansMachine LearningSmall Molecule LibrariesStructure-Activity RelationshipCryoprotective AgentsIceSmall Molecule Libraries

Identifiers

PMID39278938
PMCPMC11402961

What OpenQuestion holds

Textmetadata
LicenceCC BY
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.