most citedDeep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations

48 citations · 48 across the 1 of their papers we have counts for

collaborators

1 paper

cs.LG2020★ 48 cited

Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations

Cynthia Shen, Mario Krenn, Sagi Eppel +1

Computer-based de-novo design of functional molecules is one of the most prominent challenges in cheminformatics today. As a result, generative and evolutionary inverse designs fro…