BioModel Discussion Issue for eos7d58

Zainab-ik commented 4 months ago

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

roles	Names
Curator	@Zainab-ik
Code contributor	@DhanshreeA
Reviewer	@GemmaTuron

GemmaTuron commented 4 months ago

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 commented 2 months ago

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 commented 1 month ago

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

ersilia-os / eos7d58

BioModel Discussion Issue for eos7d58 #6