Article

Strategies for robust, accurate, and generalizable benchmarking of drug discovery platforms

2024-12-16

Abstract excerpt

Benchmarking is essential for the improvement and comparison of drug discovery platforms. We revised the protocols used to benchmark our Computational Analysis of Novel Drug Opportunities (CANDO) multiscale therapeutic discovery platform to bring them into strong alignment with best practices.CANDO ranked 7.4% and 12.1% of known drugs in the top 10 compounds for their respective diseases/indications using drug-ind...

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Literature Corpus work: 165d3a48-f7e2-5e10-99bb-9220ef812a93
DOI: 10.1101/2024.12.10.627863

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