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Record W4404511382 · doi:10.1093/nar/gkae1062

The Chemical Probes Portal – 2024: update on this public resource to support best-practice selection and use of small molecules in biomedical research

2024· article· en· W4404511382 on OpenAlexafffund
Domenico Sanfelice, Albert A. Antolín, Alisa Crisp, Yi Chen, Benjamin R. Bellenie, Paul E. Brennan, A.M. Edwards, Susanne Müller, Bissan Al‐Lazikani, Paul Workman

Bibliographic record

VenueNucleic Acids Research · 2024
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsStructural Genomics ConsortiumDiscovery Centre
FundersCalifornia Strategic Growth CouncilStructural Genomics ConsortiumKing Abdulaziz UniversityHarrington Discovery Institute, University HospitalsMinisterio de Ciencia e InnovaciónFederación Española de Enfermedades RarasGeneralitat de CatalunyaOntario Genomics InstituteAlzheimer’s Research UKWellcome TrustCancer Research UKBone Cancer Research TrustCanada Foundation for InnovationLyda Hill FoundationLifeArcMedical Research CouncilInstitute of Cancer ResearchCancer Prevention and Research Institute of TexasEuropean Regional Development FundChordoma FoundationNational Institute on AgingUniversity of North CarolinaInnovative Medicines InitiativeWellcome
KeywordsResource (disambiguation)Selection (genetic algorithm)BiologyFunction (biology)Protein functionQuality (philosophy)Computational biologySmall moleculeDrug discoveryData scienceComputer scienceBioinformaticsBiochemistryGeneticsArtificial intelligence

Abstract

fetched live from OpenAlex

The Chemical Probes Portal (www.chemicalprobes.org) is a free, public resource, based on expert-reviews, that supports the assessment, selection and use of small-molecule compounds that qualify as chemical probes. These high-quality reagents are essential for exploring the function of individual proteins in complex biological systems, such as cells and organisms, and for validating proteins as potential therapeutic targets. The use of reliable chemical probes accelerates protein annotation in basic biological studies and informs drug discovery. However, the use of low-quality compounds has historically led to erroneous conclusions in biomedical research, and experience shows that failure to follow best practice continues, an issue which the Portal aims to address. Here, we describe the latest updates to the Chemical Probes Portal in both content and functionality. The number of chemical probes and human protein targets covered has increased significantly, with improvements in the processes for obtaining expert reviews and user engagement. Moreover, new functionalities and enhanced tools have been introduced to better support biological researchers in selecting and using the best chemical probes for their studies.

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 distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.013
metaresearch head score (Gemma)0.008
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesScholarly communication
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.526
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0130.008
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0010.005
Science and technology studies0.0000.001
Scholarly communication0.0010.001
Open science0.0010.002
Research integrity0.0000.002
Insufficient payload (model declined to judge)0.0000.000

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 head0.117
GPT teacher head0.421
Teacher spread0.304 · 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 teacher head, not a consensus.

Study designNot applicable
Domainnot available
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

Citations14
Published2024
Admission routes2
Has abstractyes

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