Ersilia Model Hub Identifier: eos6ojg
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Compares a query against AntibioticDB, the open database set up by Farrell and colleagues and now hosted by GARDP, which records antibacterials in clinical and pre-clinical development alongside 834 discontinued agents, so a match can surface precedent that never reached the market. Ersilia built the search, counting compounds above Tanimoto cut-offs from 0.3 to 1.0 on Morgan fingerprints across the full database and a manually curated subset of 254, and adding a naive Bayes classifier that calls the Murcko and BRICS scaffolds of the query antibiotic-like or not.
This model was incorporated on 2025-07-19. Last packaged on 2026-11-04.
eos6ojgantibioticdb-similarity-matchesAnnotationActivity predictionAntimicrobial resistanceAnyAntimicrobial activityCompound111FixedBelow are the Output Columns of the model:
| Name | Type | Direction | Description |
|---|---|---|---|
| scaff_class | integer | high | Simple binary classification indicating whether the scaffolds found within the molecule are likely antibiotic scaffolds based on all of AntibioticDB |
| num_sim_0_3_all | integer | high | Number of compounds in AntibioticDB with a Tanimoto similarity equal or greater than 0.3 |
| num_sim_0_5_all | integer | high | Number of compounds in AntibioticDB with a Tanimoto similarity equal or greater than 0.5 |
| num_sim_0_7_all | integer | high | Number of compounds in AntibioticDB with a Tanimoto similarity equal or greater than 0.7 |
| num_sim_0_9_all | integer | high | Number of compounds in AntibioticDB with a Tanimoto similarity equal or greater than 0.9 |
| num_sim_1_0_all | integer | high | Number of compounds in AntibioticDB with a Tanimoto similarity equal or greater than 1.0 |
| num_sim_0_3_subset | integer | high | Number of compounds in a curated subset of AntibioticDB with a Tanimoto similarity equal or greater than 0.3 |
| num_sim_0_5_subset | integer | high | Number of compounds in a curated subset of AntibioticDB with a Tanimoto similarity equal or greater than 0.5 |
| num_sim_0_7_subset | integer | high | Number of compounds in a curated subset of AntibioticDB with a Tanimoto similarity equal or greater than 0.7 |
| num_sim_0_9_subset | integer | high | Number of compounds in a curated subset of AntibioticDB with a Tanimoto similarity equal or greater than 0.9 |
10 of 11 columns are shown
LocalInternalAMD64, ARM642978273.74Computational Performance (seconds):
28.4719.0769.3Peer reviewed2018This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a GPL-3.0-only license.
Notice: Ersilia grants access to models as is, directly from the original authors, please refer to the original code repository and/or publication if you use the model in your research.
To use this model locally, you need to have the Ersilia CLI installed. The model can be fetched using the following command:
# fetch model from the Ersilia Model Hub
ersilia fetch eos6ojg
Then, you can serve, run and close the model as follows:
# serve the model
ersilia serve eos6ojg
# generate an example file
ersilia example -n 3 -f my_input.csv
# run the model
ersilia run -i my_input.csv -o my_output.csv
# close the model
ersilia close
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Content type
Image
Digest
sha256:9d0a88535…
Size
273.7 MB
Last updated
2 days ago
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