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by probably_wrong 1584 days ago
> A key challenge: very few labs have enough data.

It is also getting harder, not easier, to get.

I am working right now on a retro synthesis project. Our external data provider is raising prices while removing functionality, and no one bats an eye. At the same time our own data is considered a business secret and therefore impossible to share.

As someone who does NLP research where the code, data and papers are typically free, this drives me insane.

1 comments

Are you using NLP to guide what molecules are probably worthwhile to try and synthesize?
A bit. But my main project was to use NLP to identify failed reactions in old lab notebooks to use as negative training data.