AI in Drug Discovery - Please Stop Fishing in the Bathtub! - Practical Cheminformatics
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The Hype Cycle and the Reality of Virtual ScreeningWorking on machine learning in drug discovery can be profoundly frustrating. Every week, the purveyors of social media hype herald a new “revolution” in AI for the field. As someone deeply invested in this space, I often follow the trail to these revolutionary papers, only to find researchers repeating the same fundamental mistakes that have plagued the discipline for more than a decade.