Are we fitting data or noise? Analysing the predictive power of commonly used datasets in drug-, materials-, and molecular-discovery

Crusius D, Cipcigan F, Biggin PC
No abstract available
Keywords:

3404 Medicinal and Biomolecular Chemistry

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34 Chemical Sciences

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Machine Learning and Artificial Intelligence

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Networking and Information Technology R&D (NITRD)

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1.4 Methodologies and measurements

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Generic health relevance