Task‐Similarity is a Crucial Factor for Few‐Shot Meta‐Learning of Structure‐Activity Relationships
Alex Kötter,
Stephan Allenspach,
Christoph Grebner
et al.
Abstract:Machine learning models support computer‐aided molecular design and compound optimization. However, the initial phases of drug discovery often face a scarcity of training data for these models. Meta‐learning has emerged as a potentially promising strategy, harnessing the wealth of structure‐activity data available for known targets to facilitate efficient few‐shot model training for the specific target of interest. In this study, we assessed the effectiveness of two different meta‐learning methods, namely mode… Show more
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