Drug Discovery

bioinformatics solution platform

Challenges in drug discovery span major points across the process, such as identifying lead compounds that address a specific target, utilizing effective search and analysis methods, and predicting drug-like compounds using AI tools. Our solution: a flexible, modular framework that deploys application specific tools within a unified and accessible graphical workbench.

Our Drug Discovery Solution is built upon the computational foundation of Galaxy Enterprise. Features include:

• advanced data management + metadata

• data quality control with visualization

• raw and processed mass spectrometry data storage (non-proprietary)

• access to 70 million chemical compounds for searches

• optional AI capability using tools for drug-like or natural compound prediction

• professional services dedicated to building databases and libraries

• HPC cluster compatible (distributed environment) for advanced filtering and classification

Key features:

• extreme scalability: designed and optimized to run on cluster

• reproducibility and transparency: shared workflows, data sets, and results

• integration of broad range of applications:

  • data acquisition​

  • data format conversion

  • similarity query and substructure searches

  • chemical filtering and clustering

  • annotation and visualization