Looking to classify your chemical structures and predict their class in ChEBI? Look no further, as we have released an updated version of Chebifier.
It’s now easier than ever to install it through pip and incorporate it in your pipelines locally (https://lnkd.in/eMFxBqdp) or you can use our online web interface (https://lnkd.in/ejB_6V28). The tool now includes a newer ChEBI version extending the number of classes, C3P generative AI-based chemical classification programs (https://lnkd.in/g7KiNvFY), a symbolic rules-based classification for some classes and an additional deep learning model based on graph neural networks, as well as various user interface improvements. Chebifier 2 now combines classical deep learning, generative AI, and symbolic approaches.
We’re happy to hear your feedback!
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