Navigating the Frontiers of Machine Learning in Neurodegenerative Disease Therapeutics.

"to identify ?-synuclein binders a virtual hts was performed using swisssimilarity ( table 2 ) a web-accessible tool for identifying putative hits using a diverse collection of promising and validated small molecule libraries including but not limited to 3071 approved drugs and 2989 drug candidates from the chembl 29 database over 320000 commercially available molecules from the specs library over 9 million molecules from the zinc20 database and over 30 million molecules from the enamine "real" catalog [ ]."

"Conflicts of Interest Jermaine Ross is an employee of Alleo Labs and has received a research grant from the Alzheimer’s Disease Data Initiative as a William H. Gates Sr. fellow (no grant number). Yoonjeong Cha is an employee of Alleo Labs. Mohamedi N. Kagalwala is an employee of Alleo Labs."

"The authors acknowledge financial support from the Alzheimer’s Disease Data Initiative and the NVIDIA Inception Program."