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In Journal of chemical information and modeling

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.

Urbina Fabio, Lentzos Filippa, Invernizzi Cédric, Ekins Sean

2023-Jan-25