Evidence map›Paper›PMID 39962584›Full record

ArticleJournal of cheminformatics2025

Predictive modeling of biodegradation pathways using transformer architectures.

Liam Brydon, Kunyang Zhang, Gillian Dobbie, Katerina Taškova, Jörg Simon Wicker

Abstract read
In one paragraph

Article in Journal of cheminformatics, 2025. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.

0numbers the graph read from it
0cells of the map it votes in
2citing 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

2 citing papers in PubMed.

  1. Article
  2. 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

5 authors.

Liam BrydonSchool of Computer Science, University of Auckland, Auckland, New Zealand. lbry121@aucklanduni.ac.nz.
Kunyang ZhangEawag-Swiss Federal Institute of Aquatic Science and Technology, Dübendorf, Switzerland.
Gillian DobbieSchool of Computer Science, University of Auckland, Auckland, New Zealand.
Katerina TaškovaSchool of Computer Science, University of Auckland, Auckland, New Zealand.
Jörg Simon WickerSchool of Computer Science, University of Auckland, Auckland, New Zealand.

Funding

No grant is acknowledged in the PubMed record.

6 · The paper itself

Abstract

In recent years, the integration of machine learning techniques into chemical reaction product prediction has opened new avenues for understanding and predicting the behaviour of chemical substances. The necessity for such predictive methods stems from the growing regulatory and social awareness of the environmental consequences associated with the persistence and accumulation of chemical residues. Traditional biodegradation prediction methods rely on expert knowledge to perform predictions. However, creating this expert knowledge is becoming increasingly prohibitive due to the complexity and diversity of newer datasets, leaving existing methods unable to perform predictions on these datasets. We formulate the product prediction problem as a sequence-to-sequence generation task and take inspiration from natural language processing and other reaction prediction tasks. In doing so, we reduce the need for the expensive manual creation of expert-based rules.

Indexed as

BiodegradationCheminformaticsProduct predictionTransfer-learningTransformer

Identifiers

PMID39962584
PMCPMC11834682

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.