Language models can learn complex molecular distributions

Generative models for the novo molecular design attract enormous interest for exploring the chemical space. Here the authors investigate the application of chemical language models to challenging modeling tasks demonstrating their capability of learning complex molecular distributions.

Bibliographic Details
Main Authors: Daniel Flam-Shepherd, Kevin Zhu, Alán Aspuru-Guzik
Format: Article
Language:English
Published: Nature Portfolio 2022-06-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/s41467-022-30839-x