Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session LL10: V: Data Science I
5:00 AM–6:12 AM,
Tuesday, March 21, 2023
Room: Virtual Room 10
Sponsoring
Unit:
GDS
Chair: William Ratcliff, National Institute of Standards and Technology; University of Maryland
Abstract: LL10.00006 : Structural Investigation of Small Molecule Selectivity for Cardiolipin
6:00 AM–6:12 AM
Author not Attending
Presenter:
Bernadette Mohr
(University of Amsterdam)
Authors:
Bernadette Mohr
(University of Amsterdam)
Tristan Bereau
(University of Amsterdam)
Diego van der Mast
(University of Amsterdam)
[1] Mohr, Bernadette, et al. "Data-driven discovery of cardiolipin-selective small molecules by computational active learning." Chemical Science 13.16 (2022): 4498-4511.
[2] Huang, Bing, Nadine O. Symonds, and O. Anatole von Lilienfeld. "The fundamentals of quantum machine learning." arXiv preprint arXiv:1807.04259 (2018).
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