Autonomous Small-Molecule Design.

Autonomous Small-Molecule Design

• Fully autonomous design of drug-like, novel molecules targeted to any receptor target in a matter of days.

• Requires only PDB/PDBQT receptor file and active site coordinates

  • If protein structure is unknown, high-accuracy protein folding predictions are available upon request

• Optional design customization allows users to adjust prioritization incentives for numerous molecular properties including activity probability, synthetic costs, drug-likeness, and much more

Full Retrosynthetic planning

• Our Retrosynthesis technology utilizes Deep Neural Networks to automatically perform full retrosynthesis on every novel molecule design to ensure

  • All molecule designs are synthetically feasible

  • All molecules can be synthesized using readily available molecules/fragments

  • All molecules are cost-effective

• Detailed retrosynthetic findings are displayed in the molecule visualization page listing

  • Confidence of synthetic route success

  • A list of all required precursors needed for molecule synthesis

  • Synthetic complexity estimations

Robotic Synthesis

• Molecule synthesis has historically been a time-consuming and costly barrier to drug development. LIME helps users overcome this challenge to automatically compute machine-readable synthesis instructions for their molecules and purchase autonomous, robotic molecule synthesis all within the web portal, saving both time and money to optimize your workflow.

  • * This feature is still under development, contact us for beta access*

Robotic Wet-Lab Testing

• Robotic wet-lab testing provides 100x more data than standard lab testing, lower costs, shorter timelines, and completely reproducible results. Provide the assay you wish to perform and order autonomous testing directly through the web portal.

  • * This feature is still under development, contact us for beta access*