MSNovelist: de novo structure generation from mass spectra

An end-to-end deep learning framework for translating mass spectra to de-novo molecules

E. E. Litsa, V. Chenthamarakshan, et al.

A de novo matrix for macroscopic living materials from bacteria

S. Molinari, R. F. T. Jr., et al.

De novo generation of multi-target compounds using deep generative chemistry

B. P. Munson, M. Chen, et al.

Leveraging molecular structure and bioactivity with chemical language models for de novo drug design

M. Moret, I. P. Angona, et al.