Project Description

Reaction explorer is an 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 improved all these three steps
  • Database improvements like optimizing database, implementing OOPs approach in code and framework like SQLAlchemy that follows NoSQL approach
  • Improved Chemistry processing algorithms like, caching calculated results
  • Improved output rendering using templating languages

What we did

  • Algorithm Implementation

  • Database Tuning

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