Here we have a few sets of codes that you can use to find chemical SMILES strings (structures) if you already know the CAS numbers or the names of your chemicals. Although there are many sources available for us to get SMILES strings, mostly they will not cover all your chemicals if you have a lot. In such cases, checking multiple sources/databases becomes necessary.
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Launching Aropha Github Page
We just launched our GitHub page at https://github.com/Aropha to host our open-source contents. Our machine learning models and other programing contents such as automation and web app deployment will be published on this site.
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