Pharmacology & ToxicologybioRxivPreprint
Generative Molecular Design and Experimental Validation of Selective Histamine H1 Inhibitors
K. S. McLoughlin, D. Shi, J. E. Mast…·J. M. Brase
The paper develops a generative molecular design platform, ATOM-GMD, to create selective histamine H1 inhibitors, which are validated experimentally with six compounds showing high potency and selectivity.
DOI 10.1101/2023.02.14.528391