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Record W4282926610 · doi:10.1139/cjc-2022-0087

Topological characterizations of crystal cubic carbon structures

2022· article· en· W4282926610 on OpenAlexvenueno aff
Aqsa Sattar, Muhammad Javaid

Bibliographic record

VenueCanadian Journal of Chemistry · 2022
Typearticle
Languageen
FieldMathematics
TopicGraph theory and applications
Canadian institutionsnot available
Fundersnot available
KeywordsMolecular graphCrystal structureChemistryTopological indexChemical shiftGraphMoleculeGraph theoryCrystal (programming language)Chemical speciesMelting pointTopology (electrical circuits)Chemical physicsCrystallographyComputational chemistryMathematicsCombinatoricsComputer scienceOrganic chemistryPhysical chemistry

Abstract

fetched live from OpenAlex

Graph theory (GT) serves as a mathematical foundation that helps us to manipulate, develop, analyze, and comprehend the chemical networks or structures and their characteristics. Molecular graph is a graph made up of vertices (atoms) and edges (chemical bonds between atoms). Chemical GT applied geometrical and combinatorial GT to model the important chemical structures of chemistry. Chemical GT has a wide range of uses in the study of chemical structures. The examination and manipulation of chemical structural information is made feasible by utilizing the numerical graph invariants. A graph invariant or a topological index (TI) is a numerical measure of a chemical compound that is capable of describing the properties of chemical compounds, such as melting point, freezing point, density, pressure, tension, and temperature. In this article, we compute connection-based Zagreb indices (CBZIs), namely first CBZI, second CBZI, modified first CBZI, modified second CBZI, and modified third CBZI for one of the significant types of molecular structure named as crystal cubic carbon structure, which is the most important allotrope of carbon atom. Moreover, to examine the superiority and authenticity of our computed TIs, we compare the calculated values of these ZIs for crystal cubic carbon structure with each other. This comparison enables us to check which CBZI is more authentic and superior to predict the physical and chemical properties of crystal cubic carbon structure.

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)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Theoretical or conceptual · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.671
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0020.000

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 head0.021
GPT teacher head0.247
Teacher spread0.227 · 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 designTheoretical or conceptual
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

Citations6
Published2022
Admission routes1
Has abstractyes

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