ChemDesk

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Get Info, and visualize it in 3D(pubChem, kekule.js)
Customizable Periodic table(kekule.js)
Compare two structures(kekule.js)
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Our Team

Inspiration

Always Searching for properties, structure, and trying to visualize the unique molecule in your chemistry class with all tangles and weird angles is such tiresome. right? For me it is. So there we found someone to do this job for us.

What it does

ChemDesk is a utility designed to convert graphical representations of chemical structures, as they appear in journal articles, patent documents, textbooks, trade magazines, etc., into SMILES (Simplified Molecular Input Line Entry Specification) or SD files - a computer recognizable molecular structure format. It gives many of the properties of the chemical structure(like - Smile form, Molecular Formula, Molecular weight, IUPAC, Solubility, etc) and provides a 3D representation of the structure.

How I built it

The Platform is built on Django:sqlite3 framework. We integrated kekule.js widgets to present the customizable periodic table, for comparison of two same or different chemical structures and to present the movable 3D view of the chemical structure. We used molvec jar for optical chemical structure recognition of the image.

Challenges I ran into

The major Challenges we went through were errors, actually a bunch of errors while handling the backend, while integrating the various APIs and modules, and while installing various packages and dependencies.

Accomplishments that I'm proud of

Achieving something after facing a ton of problems and errors is always fascinating and intriguing for a programmer. We went through many challenges we were unaware of but managed to reach the finish line. Even we were less familiar with the technology we used but still managed to come across all the problems. we are proud of making Chemdesk in the given time limit.

What I learned

We had a good teamwork experience and learned a lot from each other. We all had a different stack and still collaborated at a very good level. The one most important thing that our team learned is to never lose hope.

What's next for ChemDesk

Oh!! You wanted to know that cool chemistry compound that had all sorts of weird tangles. The solution is our ChemDesk, you can load the image of a 2d structure from literature and then visualize it in 3D with our viewer and find details about that particular compound like details about its rings, aromatic rings, structure comparison, its toxicity, its solubility, properties of unique elements and we provide much more. Oh!! Did I forget to mention that we also have benzene pong for you to learn chemistry while enjoying games?