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. Author manuscript; available in PMC: 2022 Aug 9.
Published in final edited form as: J Phys Chem Lett. 2021 Nov 1;12(44):10793–10801. doi: 10.1021/acs.jpclett.1c03058

Table 2.

Average Superiority of the Four Molecular Fingerprints, SSL-FPs, auto-FPs, laval, and ap, in the Two Databases DUD (21 Targets) and MUV (17 Targets)

SSL-FPs auto-FPs laval ap
MUV
avg superiority 8.02% 1.51% 5.01% 3.76%
DUD
avg superiority 5.41% 1.07% 1.80% 0.85%