OpenSourceMalaria / Series4_PredictiveModel

Can we Predict Active Compounds in OSM Series 4?
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Series 4 Predictive Model - AI with Small Data from DeepMirror #36

Open GemmaTuron opened 2 years ago

GemmaTuron commented 2 years ago

Hello @mattodd @edwintse ! A few months ago we were contacted by DeepMirror who were developing an AI platform to work with small data and were interested in testing it with some experimental datasets. We suggested to give it a go with the Series 4 molecules, as there is a good benchmark already and it's a difficult problem for AI due to the low-data scenario! I think the model is ready and they will be for sure happy to run predictions to help make a decision before synthesis if you need it. I am tagging them here to follow up on this: Ryan, @rg314 and Andrea @a19s

a19s commented 2 years ago

Thank you @GemmaTuron for starting this conversation. We just published a blog post about this work, you can find it here (https://deepmirror.ai/2022-03-18-open-source-drug-discovery/) and more information about DeepMirror here (https://deepmirror.ai).

Working on this project with Ersilia was great, and we are really happy about these promising results. We are open to running activity predictions for any new Series 4 compounds the members of OSM would like to predict.

Keep up the great work!