BioModel Discussion Issue for eos9ei3

ersilia-os / eos9ei3

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

GNU General Public License v3.0

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Closed Zainab-ik closed 2 months ago

Zainab-ik commented 4 months ago

Summary !!!

BioModel Name: Ertl2009 - Synthetic accessibility score estimation
BioModel Tag: Machine learning model, Ersilia, FAIR AIML
Metadata Comments: Estimation of synthetic accessibility score (SAScore) of drug-like molecules based on molecular complexity and fragment contributions.
Contributor:

roles Names

Curator @Zainab-ik

Code contributor @miquelduranfrigola

Reviewer @GemmaTuron
Curation status : manually curated
Annotation file: here

Zainab-ik commented 4 months ago

This annotation is complete. Kindly review.

GemmaTuron commented 4 months ago

mm looks good to me as well! Is shorter than others but because there are no organisms etc. So I think we can go ahead

Zainab-ik commented 4 months ago

mm looks good to me as well! Is shorter than others but because there are no organisms etc. So I think we can go ahead

Yeah, there's no mention of an organism. And the publication was more of a methodology description. Thanks.