Evidence map›Paper›PMID 38701099›Full record

ArticlePLoS computational biology2024

A systematic analysis of regression models for protein engineering.

Richard Michael, Jacob Kæstel-Hansen, Peter Mørch Groth, Simon Bartels, Jesper Salomon, Pengfei Tian, Nikos S Hatzakis, Wouter Boomsma

Abstract read
In one paragraph

Article in PLoS computational biology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.

0numbers the graph read from it
0cells of the map it votes in
6citing 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

6 citing papers in PubMed.

  1. Review
  2. Article
  3. Article
  4. Best Practices for Machine Learning-Assisted Protein Engineering.Journal of chemical information and modeling · 2025
    Review
  5. Article
  6. 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

8 authors.

Richard MichaelDepartment of Computer Science, University of Copenhagen, Copenhagen, Denmark.ORCID 0000-0002-6264-7323
Jacob Kæstel-HansenDepartment of Chemistry, University of Copenhagen, Copenhagen, Denmark.ORCID 0000-0001-7365-9664
Peter Mørch GrothDepartment of Computer Science, University of Copenhagen, Copenhagen, Denmark.ORCID 0000-0003-0757-7665
Simon BartelsDepartment of Computer Science, University of Copenhagen, Copenhagen, Denmark.
Jesper SalomonEnzyme Research, Novozymes A/S, Kongens Lyngby, Denmark.
Pengfei TianEnzyme Research, Novozymes A/S, Kongens Lyngby, Denmark.
Nikos S HatzakisDepartment of Chemistry, University of Copenhagen, Copenhagen, Denmark.
Wouter BoomsmaDepartment of Computer Science, University of Copenhagen, Copenhagen, Denmark.ORCID 0000-0002-8257-3827

Funding

Novo Nordisk Foundation NNF20OC0062606Novo Nordisk Foundation NNF21SA0069429Novo Nordisk Foundation NNF22OC0075851
6 · The paper itself

Abstract

To optimize proteins for particular traits holds great promise for industrial and pharmaceutical purposes. Machine Learning is increasingly applied in this field to predict properties of proteins, thereby guiding the experimental optimization process. A natural question is: How much progress are we making with such predictions, and how important is the choice of regressor and representation? In this paper, we demonstrate that different assessment criteria for regressor performance can lead to dramatically different conclusions, depending on the choice of metric, and how one defines generalization. We highlight the fundamental issues of sample bias in typical regression scenarios and how this can lead to misleading conclusions about regressor performance. Finally, we make the case for the importance of calibrated uncertainty in this domain.

Indexed as

Computational BiologyMachine LearningProtein EngineeringAlgorithmsProteinsRegression AnalysisProteins

Identifiers

PMID38701099
PMCPMC11095727

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.