The Drug Engine

Abstract and Summary

The drug discovery process

• Idea

  • Novelty

  • Validation

• Experiment

  • Availability

    • Get

      • Inventory

      • Reagent Selector 

    • Buy

      • Commercial databases

      • Reagent Selector

      • PASS

    • Make

      • Reaction Databases

  • Screening

    • In silico Screening

      • Modelling

        • SCULPT

      • QSAR

        • PASS

      • Clustering

      • DiscoveryGate

    • High Throughput Screening

      • Assay Explorer

      • Central Library

  • Optimization

    • Decision making

      • Spreadsheets

        • ISIS for EXCEL

      • Presentations - Visualization

        • Miner3D

        • Spotfire

      • Communication - Publishing

        • Chime/Chemscape