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Record W4365135058 · doi:10.1093/database/baad021

NbThermo: a new thermostability database for nanobodies

2023· article· en· W4365135058 on OpenAlexaff
Mario S. Valdés‐Tresanco, Mario E. Valdés‐Tresanco, Esteban Molina-Abad, Ernesto Moreno

Bibliographic record

VenueDatabase · 2023
Typearticle
Languageen
FieldMedicine
TopicMonoclonal and Polyclonal Antibodies Research
Canadian institutionsUniversity of Calgary
Fundersnot available
KeywordsThermostabilityDatabaseComputer scienceMelting temperatureChemistryMaterials scienceBiochemistry

Abstract

fetched live from OpenAlex

We present NbThermo-a first-in-class database that collects melting temperatures (Tm), amino acid sequences and several other categories of useful data for hundreds of nanobodies (Nbs), compiled from an extensive literature search. This so-far unique database currently contains up-to-date, manually curated data for 564 Nbs. It represents a contribution to efforts aimed at developing new algorithms for reliable Tm prediction to assist Nb engineering for a wide range of applications of these unique biomolecules. Nbs from the two most common source organisms-llama and camel-show similar distributions of melting temperatures. A first exploratory research that takes advantage of this large data collection evidences that understanding the structural bases of Nb thermostability is a complex task, since there are no apparent differences in sequence patterns between the frameworks of Nbs with lower and higher melting temperatures, indicating that the highly variable loops play a relevant role in defining Nb thermostability. Database URL https://valdes-tresanco-ms.github.io/NbThermo.

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)0.003
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: Dataset · Consensus signal: Dataset
Teacher disagreement score0.013
Threshold uncertainty score0.045

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.003
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0030.001
Bibliometrics0.0060.005
Science and technology studies0.0010.000
Scholarly communication0.0020.003
Open science0.0030.002
Research integrity0.0020.002
Insufficient payload (model declined to judge)0.0130.020

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 head0.111
GPT teacher head0.394
Teacher spread0.283 · 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
GenreDataset

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

Citations39
Published2023
Admission routes1
Has abstractyes

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