Client success story
Molecular Design Tool
Business Value Delivered: Faster Drug Design & Test Cycles
Summary: Focused Design App Speeds Drug Discovery
A small drug discovery company was pursuing novel drug molecules using proprietary synthesis techniques. However, the manual processes involved in design and synthesis led to inefficiencies. A bespoke application developed by the bPrescient team allowed the client’s team to more accurately and quickly create their designs and reduce drug discovery time and costs.
Challenge: Drug Molecule Design Done Using Spreadsheets
The client relied on spreadsheets to perform custom drug molecule design, including the generation of combinatorial sets of molecules from a collection of constraints. This led to missing and duplicated molecules, inconsistent application of design rules, and additional time to review and QC the designs before synthesis. This meant that the design/test cycle was taking longer than necessary and delaying drug discovery programs.
Solution: Custom Molecular Design Application
bPrescient worked with the client’s scientists to understand their workflows and developed an application that allowed specification of basic molecular structures and component constraints in a web-based visual interface. Once the designs were defined by the users, the application generated all possible combinations of the design that met the constraints and allowed the user to review and annotate them. When the design was finalized, the application generated a file that was imported into the synthesis instrumentation to create the molecules.
Outcome: Design Processes More Accurate & Efficient
The client was able to shorten their molecule design and review time by using the new capability developed by bPrescient. This shortened their entire design/test cycle, improved their overall drug discovery efficiency, and allowed them to tackle additional drug discovery programs.
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