Matomo Code

Reaction Explorer

reactionexplorer

PROJECT DESCRIPTION

Reaction Explorer is a python application that helps in learning organic chemistry by emulating reactions, syntheses, and mechanisms in organic chemistry.

 

Features Implemented in Reaction Explorer

  • This application was developed using technologies like Python, OpenEye Python Toolkit, Marvin Applets, and PostgreSQL
  • There are 3 steps in this application: Single-Step Reaction Completion, Multi-Step Synthesis Design and Arrow-Pushing Mechanism Diagrams. We have made improvements in all three steps
  • Database improvements like optimizing database, implementing OOPs approach in code and using frameworks like SQLAlchemy that follow NoSQL approach
  • Improved chemistry processing algorithms such as caching calculated results
  • Improved output rendering using templating languages

 

WHAT WE DID

  • Algorithm Implementation 95% 95%
  • Database Tuning 97% 97%
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