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Record W3156051371 · doi:10.1038/s41592-021-01117-3

Critical assessment of protein intrinsic disorder prediction

2021· article· en· W3156051371 on OpenAlexafffund
Marco Necci, Damiano Piovesan, Md Tamjidul Hoque, Ian Walsh, Sumaiya Iqbal, Michele Vendruscolo, Pietro Sormanni, Chen Wang, Daniele Raimondi, Ronesh Sharma, Yaoqi Zhou, Thomas Litfin, Oxana V. Galzitskaya, Michail Yu. Lobanov, Wim Vranken, Björn Wallner, Claudio Mirabello, Nawar Malhis, Zsuzsanna Dosztányi, Gábor Erdős, Bálint Mészáros, Jianzhao Gao, Kui Wang, Gang Hu, Zhonghua Wu, Alok Sharma, Jack Hanson, K.K. Paliwal, Isabelle Callebaut, Tristan Bitard-Feildel, Gabriele Orlando, Zhenling Peng, Jinbo Xu, Sheng Wang, David T. Jones, Domenico Cozzetto, Fanchi Meng, Jing Yan, Jörg Gsponer, Jianlin Cheng, Tianqi Wu, Lukasz Kurgan, Vasilis J. Promponas, Stella Tamana, Cristina Marino‐Buslje, Elizabeth Martínez‐Pérez, Anastasia Chasapi, Christos Ouzounis, A. Keith Dunker, Andrey V. Kajava, Jérémy Leclercq, Burcu Aykaç Fas, Matteo Lambrughi, Emiliano Maiani, Elena Papaleo, Lucía B. Chemes, Lucía Álvarez, Nicolás S. González Foutel, Valentín Iglesias, Jordi Pujols, Salvador Ventura, Nicolás Palópoli, Guillermo Ignacio Benítez, Gustavo Parisi, Claudio Bassot, Arne Elofsson, Sudha Govindarajan, John Lamb, Marco Salvatore, András Hatos, Alexander Miguel Monzón, Martina Bevilacqua, Ivan Mičetić, Giovanni Minervini, Lisanna Paladin, Federica Quaglia, Emanuela Leonardi, Norman E. Davey, Tamás Horváth, Orsolya Panna Kovacs, Nikoletta Murvai, Rita Pancsa, Éva Schád, Beáta Szabó, Ágnes Tantos, Sandra Macedo‐Ribeiro, José A. Manso, Pedro José Barbosa Pereira, Radoslav Davidović, Nevena Veljković, Borbála Hajdu-Soltész, Mátyás Pajkos, Tamás Szaniszló, Mainak Guharoy, Tamás Lázár, Mauricio Macossay-Castillo, Péter Tompa, Silvio C. E. Tosatto

Bibliographic record

VenueNature Methods · 2021
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicProtein Structure and Dynamics
Canadian institutionsUniversity of AlbertaCanada's Michael Smith Genome Sciences CentreUniversity of British Columbia
FundersHorizon 2020 Framework ProgrammeNational Institute of General Medical SciencesTianjin Science and Technology CommitteeNational Natural Science Foundation of ChinaMinistero dell’Istruzione, dell’Università e della RicercaNatural Sciences and Engineering Research Council of CanadaEuropean CommissionNatural Science Foundation of Tianjin CityAgence Nationale de la RechercheNational Science Foundation
KeywordsComputational biologyBiologyChemistry

Abstract

fetched live from OpenAlex

Abstract Intrinsically disordered proteins, defying the traditional protein structure–function paradigm, are a challenge to study experimentally. Because a large part of our knowledge rests on computational predictions, it is crucial that their accuracy is high. The Critical Assessment of protein Intrinsic Disorder prediction (CAID) experiment was established as a community-based blind test to determine the state of the art in prediction of intrinsically disordered regions and the subset of residues involved in binding. A total of 43 methods were evaluated on a dataset of 646 proteins from DisProt. The best methods use deep learning techniques and notably outperform physicochemical methods. The top disorder predictor has F max = 0.483 on the full dataset and F max = 0.792 following filtering out of bona fide structured regions. Disordered binding regions remain hard to predict, with F max = 0.231. Interestingly, computing times among methods can vary by up to four orders of magnitude.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

How this classification was reachedexpand

Full frame machine prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.

metaresearch head score (Codex)0.021
metaresearch head score (Gemma)0.046
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesMetaresearch
Consensus categoriesnone
DomainCandidate signal: Methods · Consensus signal: none
Study designCandidate signal: Observational · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.979
Threshold uncertainty score0.110

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0210.046
Meta-epidemiology (narrow)0.0020.000
Meta-epidemiology (broad)0.0020.001
Bibliometrics0.0050.002
Science and technology studies0.0010.002
Scholarly communication0.0020.002
Open science0.0020.002
Research integrity0.0030.003
Insufficient payload (model declined to judge)0.0020.001

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.006
GPT teacher head0.379
Teacher spread0.373 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it

Classification

machine, unvalidated

Machine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.

Study designObservational
DomainMethods
GenreEmpirical

How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".

Quick stats

Citations363
Published2021
Admission routes2
Has abstractyes

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