Statistical design and application to combinatorial chemistry
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Updated: Oct 3, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
1BioFocus, Sittingbourne Research Centre, Sittingbourne, UK ME9 8AZ. srose@biofocus.co.uk
Abstract:
Combinatorial chemistry has matured from its early production-belt image of synthesizing the maximum number of compounds in the minimum amount of time. It is now a discovery technology driven by good experimental design, with a focus on producing high numbers of quality drug-like compounds. Complex statistical and optimization algorithms are routinely applied to ensure that the library is designed with the best chance of achieving its goals, while also facilitating efficient synthesis.
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