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Record W4385615132 · doi:10.33774/coe-2023-fmh6k

Protein structural and sequence analysis of human ACE2 using prediction and modeling bioinformatics tools for diagnostics biomarkers and drug design features: an opinion study path

2023· preprint· en· W4385615132 on OpenAlexaff
Ozurumba-Dwight Leo Nnamdi, Dalton Dalton, Eno Ebenso, Nyerhowo Tonukari, Anne Tebo to, Chinedu Ogbonna, Okezie Enwerre, Algasan Govender, Iliya Shehu Ndams, Mohammad Bello, Titus Yinusa, Joel Okpoghono, Emmanuel Ifeanyi Obeagu, Malachy Ifeanyi Okeke, Claude P. Muller, Innocent Osuya

Bibliographic record

Venuenot available
Typepreprint
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsNOSM University
FundersPeking University
KeywordsComputational biologyStructural bioinformaticsBioinformaticsAngiotensin-converting enzyme 2Sequence (biology)OntologyGene ontologyBiologyDiseaseCoronavirus disease 2019 (COVID-19)Computer scienceProtein structureMedicineGeneGeneticsInfectious disease (medical specialty)BiochemistryPathology

Abstract

fetched live from OpenAlex

Angiotensin converting enzyme-2 receptor (ACE2) present on human cell membrane surfaces is a critical receptor for binding of SARS-CoV-2 to invade cells. Severe burden of recent COVID-19 pandemic was of global public health importance. Using bioinformatics tools, protein sequence and structural features of ACE2 protein can be obtained. Protein sequences can be compared with structures of ACE2 proteins from same individuals (or patients) of different clinical status. This can either be from data obtained from disease states or already deposited annotated data. Then assess for effectiveness of a pool of bio-molecular attributes such structural neighbor profiles which help describe micro-environment of single amino polymorphisms (SAPs). Then engage predictive and modeling tools to predict key mutational loci- particularly involving SAPs and their functions in relation to disease states. Generated data can contribute to ontology, screens to identify biomarkers and open up paths to development of research protocols in therapeutics and diagnostics.

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)0.001
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Simulation or modeling · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.002
Threshold uncertainty score0.007

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0010.001
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.001
Bibliometrics0.0000.001
Science and technology studies0.0000.000
Scholarly communication0.0010.001
Open science0.0000.000
Research integrity0.0000.001
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 head0.207
GPT teacher head0.404
Teacher spread0.197 · 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 designSimulation or modeling
Domainnot available
GenreMethods

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

Citations1
Published2023
Admission routes1
Has abstractyes

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