Article

Strategies for Robust, Accurate, and Generalisable Benchmarking of Drug Discovery Platforms

2024-12-24

Abstract excerpt

Benchmarking is an important step in the improvement, assessment, and comparison of the performance of drug discovery platforms and technologies. We revised the existing benchmarking protocols in our Computational Analysis of Novel Drug Opportunities (CANDO) multiscale therapeutic discovery platform to improve utility and performance. We optimized multiple parameters used in drug candidate prediction and assessmen...

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Literature Corpus work: 2319b89d-9202-5f8a-97e0-81c11273b149
DOI: 10.32388/2ylbwo

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