Synbiolic Platform - Unlocking Drug Discovery with AI

Microsoft Imagine Cup Americas Regional Finalist & Runner-Up

Check out Synbiolic!

Acknowledgements

• Deep reinforcement learning for de novo drug design Popova et. al 2018
• DeepChem
• IBM RXN Chem
• Azure ML
• Azure API Management
• RXN Finder API

Media

• N.A Regional Finalist (Top 5 of 28000)
• Microsoft Feature
• Runner Up Microsoft Feature
• Microsoft Pitch

Running the repo

Downloading the source code

Clone the repository:

git clone https://github.com/wlawt/synbiolic.git
cd synbiolic

To run Synbiolic:

npm install
cd client
npm install
cd ../
npm run dev

Instructions - Step-by-step Walkthrough:

Landing Page

User onboarding

Generate Molecules

• The number of recommended molecules to generate is 20-50 (for demo purposes).
• It will then take you to all the generated molecules - where you can view the molecules and the plc-50 distribution
• You can save any of the molecules and click on them to bring up the retrosynthesis pathway
• The retrosynthesis pathway will have more details about the molecule itself

View saved molecules

View Retrosynthesis Requests

Contributors to Synbiolic

• Joey Mach
• Aryan Misra
• William Law
• Suraj Bansal

Update Logs (user: wlawt)

April 5, 2020

• Making repo public

March 28, 2020

• Fixed pic50 distribution
• Added tab icon

March 27, 2020

• Fixed UI changes/bugs
• Corrected pic50 distribution chart
• Uninstalled unnecessary dep.

March 26, 2020

• UI Change, implemented 4th frame (sidebar, additional info for the retro, etc.)

March 25, 2020

• Added IBM Chemistry API for prediction/retrosynthesis

March 24, 2020

• Results show to front end
• Front end displaying data dynamically works
• Distribution chart for plc50 works
• Footer added
• Cleaned up code

March 21-23, 2020

• Implemented Azure API
• Fixed Azure CORS issue
• Showing results to front end

March 20, 2020

• Finished frame 3
• Fixed warnings

March 19, 2020

• Finished frame 1
• Finished frame 2