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The Data-Driven Future of Drug Development

DrugBank

By harnessing the vast amounts of data generated throughout the development pipeline, pharmaceutical companies can accelerate the discovery of novel therapies, optimize clinical trial design, enhance drug safety monitoring, and deliver personalized medicine, ultimately improving patient outcomes and transforming the future of healthcare.

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We Need Better Benchmarks for Machine Learning in Drug Discovery

Practical Cheminformatics

Initially, I would recommend aqueous solubility, membrane permeability, in vitro metabolic stability, and biochemical assays. Many have suggested that pharmaceutical companies should open more of their data to the community. I have a few ideas. The Biogen dataset is a good start, but we need more data.

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