Preventing AI From Creating Biochemical Threats.

Fabio UrbinaFilippa LentzosCédric Invernizzi Sean Ekins

Published in: Journal of chemical information and modeling (2023)

We have previously applied our machine learning models for bioactivity and toxicity along with a generative algorithm to develop VX and tens of thousands of analogues. The publication brought attention to the ease of designing chemical warfare agents. In this Viewpoint, we discuss 10 recommendations to prevent future biochemical threats.

Keyphrases

machine learning
artificial intelligence
deep learning
working memory
big data
current status
oxidative stress
molecular docking
clinical practice
molecular dynamics simulations
structure activity relationship