Case Study

Streamlining Small Molecule R&D: Strategies To Modernize Combinatorial Chemistry

Source: Dassault Systèmes
Scientists laboratory thinking GettyImages-1206395543

One of the world’s largest pharmaceutical producers, touting a diverse global network of research groups and manufacturing sites, was focused on the research, develop and manufacture a diverse pipeline of pharmaceuticals, vaccines and consumer healthcare products. They continually lead the pack in adopting new approaches to improve their R&D capabilities, increasing their R&D productivity and efficiency and supporting their mission to take on some of the most complex problems in medicinal chemistry.

Combinatorial chemistry has allowed pharmaceutical companies to create virtual libraries of related compounds, helping researchers to narrow their focus on those which best suit their needs. Previously, this manufacturer had devoted a large team of medicinal and computational chemists to oversee their combinatorial library, which contained of tens of thousands of unique entities. This library needed to be updated frequently to capture the latest regulatory and R&D strategy changes. As a result, the management team would need to assess the millions of compounds available from their various suppliers and filter them down to match the customer’s desired specifications.

Read how the implementation of a solution that compartmentalizes their data on their extensive variety of chemical compounds and controlled substances has helped alleviate any foreseeable issues with legislative shifts and allotted for a pharmacaphoric approach to candidate selection. This allows this customer to meet their goals of archiving compound collections based on a variety of parameters, including desired physicochemical properties, molecule complexity, and synthesis cost, among others.

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