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Record W4405227333 · doi:10.1093/database/baae116

Probe my Pathway (PmP): a portal to explore the chemical coverage of the human Reactome

2024· article· en· W4405227333 on OpenAlexafffund
Haejin Angela Kwak, Lihua Liu, Matthieu Schapira

Bibliographic record

VenueDatabase · 2024
Typearticle
Languageen
FieldBiochemistry, Genetics and Molecular Biology
TopicBioinformatics and Genomic Networks
Canadian institutionsCanada Research ChairsUniversity of Toronto
FundersStructural Genomics ConsortiumNatural Sciences and Engineering Research Council of CanadaCanadian Institutes of Health Research
KeywordsComputer scienceInformation retrievalWorld Wide WebData science

Abstract

fetched live from OpenAlex

Deciphering pathway-phenotype associations is critical for a system-wide understanding of cells and the chemistry of life. An approach to reach this goal is to systematically modulate pathways pharmacologically. The targeted and controlled regulation of an increasing number of proteins is becoming possible, thanks to the growing list of chemical probes and chemogenomic compounds available to cell biologists, but no resource is available that directly maps these chemical tools on cellular pathways. To fill this gap, we developed Probe my Pathway (PmP), a database where high-quality chemical probes and well-characterized sets of chemogenomic compounds are mapped on all the human pathways of the Reactome database. The web interface allows users to browse the data via icicle charts or search the data for compounds, proteins, or pathways. Chemists can rapidly find pathways with low chemical coverage or explore the structural chemistry of ligands targeting specific cellular machineries. Cell biologists can look for chemical probes targeting different proteins in the same pathway or find which pathways are targeted by chemical probes of interest. PmP is updated annually and will grow with the expanding chemical tool kit produced by Target 2035 and other efforts. Database URL: https://apps.thesgc.org/pmp/.

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)0.001
metaresearch head score (Gemma)0.002
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Not applicable · Consensus signal: Not applicable
GenreCandidate signal: Software · Consensus signal: none
Teacher disagreement score0.055
Threshold uncertainty score0.184

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.002
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0040.004
Science and technology studies0.0000.000
Scholarly communication0.0020.002
Open science0.0010.003
Research integrity0.0010.001
Insufficient payload (model declined to judge)0.0550.029

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 head0.019
GPT teacher head0.258
Teacher spread0.238 · 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.

The models applied no category: nothing in the taxonomy fit this work.
Study designNot applicable
Domainnot available
GenreSoftware

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

Citations0
Published2024
Admission routes2
Has abstractyes

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