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BioModel Discussion Issue for eos7d58 #6

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Zainab-ik opened this issue May 23, 2024 · 3 comments
Closed

BioModel Discussion Issue for eos7d58 #6

Zainab-ik opened this issue May 23, 2024 · 3 comments

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@Zainab-ik
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Zainab-ik commented May 23, 2024

Summary !!!

  • BioModel Name: Swanson2023 - ADMET-AI: To evaluate the pharmacokinetics property of large-scale chemical libraries

  • BioModel Tag: Machine learning model, Ersilia

  • Metadata Comments:
    Hi @GemmaTuron , for this model, each of the 6 predictions has a sub-predicitions. I'd like to clarify if all the sub-predictions are incorporated in Ersilia.

  • Contributor:

roles Names
Curator @Zainab-ik
Code contributor @DhanshreeA
Reviewer @GemmaTuron
  • Curation status : manually curated

  • Annotation file: here

@GemmaTuron
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The 6 "predictions" are simply classes so that the outputs are better classified - ADME (Absortion, Distribution... these are "classes")
The endpoints we need to identify are for example: solubility, CYP3A4 inhibition and so on

@Zainab-ik
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Hi @GemmaTuron
I've annotated all the endpoints for this model. And the DOME annotation for output is just - Model-Output since it's either classification or regression.

@GemmaTuron
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Thanks for the work @Zainab-ik this looks good, all endpoints are there

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3 participants