This chemical does not exist – now what?

content of This chemical does not exist:



This is a website that uses machine learning techniques to generate images of chemical compounds that do not exist in reality. The website uses a type of model called a Variational Autoencoder (VAE) that is trained on a dataset of real chemical compounds. The VAE generates new images of chemical compounds by combining elements from the real compounds in novel ways. The images generated are not real compounds, but they are still scientifically plausible. The website is intended to showcase the capabilities of machine learning and the realism that can be achieved with this technology when it comes to generating chemical compounds. It is also a good tool for researchers, scientists, and students who are interested in learning more about the current state of the art in the use of machine learning in chemistry and how the technology can be applied to generate plausible chemical compounds.

Examples for “This chemical does not exist”

As the chemical structures are delivered in 3D and are rotating, I cannot really show examples – go to the link above so see them live. But hear some static pictures.

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