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