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Record W4317565433 · doi:10.5281/zenodo.7552219

Raw Data Files for Collateral Sensitivity Profiling in Drug-Resistant Escherichia coli Identifies Natural Products Suppressing Cephalosporin Resistance

2023· article· en· W4317565433 on OpenAlexaff
Dennis Y. Liu, Laura Phillips, Darryl M. Wilson, Kelly M. Fulton, Susan M. Twine, Alex Wong, Roger G. Linington

Bibliographic record

VenueZenodo (CERN European Organization for Nuclear Research) · 2023
Typearticle
Languageen
FieldComputer Science
TopicComputational Drug Discovery Methods
Canadian institutionsNational Research Council CanadaCarleton UniversitySimon Fraser University
Fundersnot available
KeywordsCephalosporinEscherichia coliDrug resistanceMicrobiologyChemistryBiologyAntibioticsBiochemistryGene

Abstract

fetched live from OpenAlex

Raw Data Files for the Following Publication: Collateral Sensitivity Profiling in Drug-Resistant Escherichia coli Identifies Natural Products Suppressing Cephalosporin Resistance E_coli_CSP_Antibioitic_MIC_R1.csv; E_coli_CSP_Antibioitic_MIC_R2.csv; E_coli_CSP_Antibioitic_MIC_R3.csv: Raw MIC values for all 80 antibiotic compounds against wild type and 29 drug-resistant strains of E. coli, as specified in the main manuscript. Antibiotics are arranged along the horizontal axis with their structural class indicated one row above. Drug-resistant strains, along with their mutant gene and strain designation, are arranged along the vertical axis. All values are in micromolar. >128 denotes MIC values greater than 128 micromolar. E_coli_CSP_NP_Library_OD600.csv: Raw OD600 absorbance values from CSP screening of 6,195 natural product extract prefractions against wild type and 29 drug-resistant strains of E. coli, as described in the main manuscript. Drug-resistant strains are arranged along the horizontal axis. Extracts are arranged along the vertical axis. Extracts that begin with RLCA denote Burkoholderia-derived extracts. Extracts that begin with RLUS denote marine Actinobacterial extracts. Extracts with the same letter and number code but different alphabetical character at the end (A to F) denote different prefractions of the same extract. All values represent the difference of the T20 and T0 measurements. E_coli_CSP_NP_Secondary_Screen_MIC.csv: Raw MIC values for 117 natural product extract prefractions selected for secondary screening, screened against wild type and 29 drug-resistant strains of E. coli as 16x two-fold dilution series, as described in the main manuscript. Drug-resistant strains are arranged along the horizontal axis. Extracts are arranged along the vertical axis. Extracts that begin with RLCA denote Burkoholderia-derived extracts. Extracts that begin with RLUS denote marine Actinobacterial extracts. Extracts with the same letter and number code but different alphabetical character at the end (A to F) denote different prefractions of the same extract. Since extract concentrations cannot be determined, the MIC values have been annotated using relative concentration values (1 = stock concentration, 0.5 = 1x two-fold dilution, 0.25 = 2x two-fold dilution, etc.). E_coli_CSP_Borrelidins_OD600: Normalized percent growth values (100% maximum growth; 0% no growth) for borrelidins A, F, H, and P between 256/128 uM to 0.0078/0.0039 uM against select strains: wild type E. coli MG1655, Cip2KB, Cef8, Cef1, Cef6, Cef7, Kn15, RK2, MG1655 (thrS) -IPTG, MG1655 (thrS) +IPTG, Cef6 (thrS) -IPTG, Cef6 (thrS) +IPTG, Cef7 (thrS) -IPTG, Cef7 (thrS) +IPTG. All strains were tested in triplicate. E_coli_CSP_Resistance_Passaging_MIC: Ceftazidime MIC values obtained during the serial passaging experiment under four separate conditions (Cef, ceftazidime in increasing concentrations; Cef+BorA_32uM, ceftazidime in increasing concentrations and borrelidin A at 32 uM; Cef+BorA_128uM, ceftazidime in increasing concentrations and borrelidin A at 128 uM; Cef+Nor, ceftazidime in increasing concentrations and norfloxacin in increasing concentrations) over 12 days. Each condition was tested using three replicates sourced from a wild type strain of E. coli MG1655. E_coli_CSP_Resistance_Passaging_MIC_12th_Day: Raw MIC values for ceftazidime, cefadroxil, cefaclor, norfloaxcin, ciprofloxacin, and borreidin A against the drug-resistant strains obtained from the serial passaging experiment under four separate conditions (Cef, ceftazidime in increasing concentrations; Cef+BorA_32uM, ceftazidime in increasing concentrations and borrelidin A at 32 uM; Cef+BorA_128uM, ceftazidime in increasing concentrations and borrelidin A at 128 uM; Cef+Nor, ceftazidime in increasing concentrations and norfloxacin in increasing concentrations). Each condition was tested in triplicate, with three replicate samples selected for each condition. Test antibiotics are arranged along the horizontal axis while the drug-resistant strains are arranged along the vertical axis. E_coli_CSP_Checkerboard_Assay_OD600: Normalized percent growth values for checkerboard co-dosing assays between borrelidin A x ceftazidime and borrelidin A x ampicillin against E. coli MG1655, Ce7, and RK2. Borrelidin A is co-dosed with either ceftazidime or ampicillin using a combination concentrations from 128 uM to 15.6 nM.

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)0.002
metaresearch head score (Gemma)0.013
Version: metacan-v3-hybrid-931329e0061cValidation status: machine_predicted_unvalidated
Candidate categoriesInsufficient payload (model declined to judge)
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 score0.395
Threshold uncertainty score0.862

Distilled classifier scores by category (both heads)

CategoryCodexGemma
Metaresearch0.0020.013
Meta-epidemiology (narrow)0.0020.001
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0040.008
Science and technology studies0.0020.000
Scholarly communication0.0030.002
Open science0.0020.002
Research integrity0.0020.003
Insufficient payload (model declined to judge)0.3950.194

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 head0.060
GPT teacher head0.301
Teacher spread0.241 · 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.

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

Citations0
Published2023
Admission routes1
Has abstractyes

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