Reaction Explorer

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