OCRXN is a free, web-based organic chemistry reaction predictor and simulator. Built for students, educators, and researchers, it allows users to input reactants, test reagents, and predict major reaction outcomes in real time. Powered by a flexible rule-based engine, OCRXN lets users toggle pre-built reaction sets or upload custom JSON dictionaries to test custom mechanisms—all without paywalls, sign-ups, or software downloads.
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Hi everyone!
Over the past few months, I've been working on [rxn](https://ocrxn.vercel.app/). A free and open source web application designed to predict organic chemistry reaction outcomes and visualize reaction logic right in your browser
# Why I built it?
I built it because there were simply no tools that fit the requirement I needed for my studies;
-> there was orca/gaussian. these were computational systems designed to calculated products upon solving wavefunctions. they took way too much time to give me an answer. not ideal
-> there were tools like Reaxify, these use AI to predict reactions. the downside here was that it is not deterministic. If i played out the same reaction twice, there was a non-zero chance of it giving two products. again, not ideal.
# What this does
My project is an algorithmic engine that uses rules of organic chemistry coupled the ability to handle exceptions. This means, it not only computes faster than Orca/Gaussian, it also answers more accurately than Reaxify.
# What are the downsides?
The downsides are that the reactions it can perform is limited to the rules in the engine.
# How to circumvent this downside
Custom JSON Dictionary Engine: The engine runs on rule sets. You can toggle default dictionaries or upload your own custom JSON reaction rules to test specific mechanism logic or specialized transformations.
This project is open sourced and free. The aim of this project is to enable teachers and students to change the way they think about organic chemistry from a subject focused on memorizations, to one focused on the understanding of atomic reactions.
# I need your help
I am a highschooler. I don't have the resources or ability to make this as huge as I think it can be. If any of you can test out the tool, open pull requests on github, submit any sort of feedback, recommend it to your friends or anything of the sort, it'd be really helpful.