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ersiliaos/eos39dp

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By Ersilia Open Source Initiative

•Updated 1 day ago

Ersilia Model Hub Identifier: eos39dp

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ersiliaos/eos39dp repository overview

⁠Pharmacokinetics Profiler (PhaKinPro)

Pharmacokinetics Profiler (PhaKinPro) predicts the pharmacokinetic (PK) properties of drug candidates. It has been built using a manually curated database of 10.000 compounds with information for 12 PK endpoints. Each model provides a multi-classifier output for a single endpoint, along with a confidence estimate of the prediction and whether the query molecule is within the applicability domain of the model.

This model was incorporated on 2024-05-03.Last packaged on 2025-10-10.

⁠Information

⁠Identifiers
  • Ersilia Identifier: eos39dp
  • Slug: phakinpro
⁠Domain
  • Task: Annotation
  • Subtask: Property calculation or prediction
  • Biomedical Area: Any
  • Target Organism: Any
  • Tags: ADME
⁠Input
  • Input: Compound
  • Input Dimension: 1
⁠Output
  • Output Dimension: 18
  • Output Consistency: Fixed
  • Interpretation: A list of several ADME predictions

Below are the Output Columns of the model:

NameTypeDirectionDescription
hs_15minfloathighProbability of hepatic stability <=50% at 15 min
hs_30minfloathighProbability of hepatic stability <=50% at 30 min
hs_60minfloathighProbability of hepatic stability <=50% at 60 min
mhl_subcellularfloathighProbability of sub-cellular hepatic Half-life <= 30 minutes
mhl_tissuefloathighProbability of tissue hepatic Half-life <= 30 minutes
rc_01floathighProbability of renal clearance below 0.10 ml/min/kg
rc_05floathighProbability of renal clearance below 0.50 ml/min/kg
rc_1floathighProbability of renal clearance below 1.00 ml/min/kg
bbb_permeabilityfloathighProbability of permeating the blood-brain barrier
cns_activityfloathighProbability of exhibiting central nervous system activity

10 of 18 columns are shown

⁠Source and Deployment
⁠Resource Consumption
  • Model Size (Mb): 50
  • Environment Size (Mb): 2397
  • Image Size (Mb): 2413.88

Computational Performance (seconds):

  • 10 inputs: 28.98
  • 100 inputs: 18.91
  • 10000 inputs: 138.31
⁠References
⁠License

This package is licensed under a GPL-3.0⁠ license. The model contained within this package is licensed under a MIT⁠ 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.

⁠Use

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 eos39dp

Then, you can serve, run and close the model as follows:

# serve the model
ersilia serve eos39dp
# 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

⁠About Ersilia

The Ersilia Open Source Initiative⁠ is a tech non-profit organization fueling sustainable research in the Global South. Please cite⁠ the Ersilia Model Hub if you've found this model to be useful. Always let us know⁠ if you experience any issues while trying to run it. If you want to contribute to our mission, consider donating⁠ to Ersilia!

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