Additional file 1: The code snippets to show the implementation of calculating molecular fingerprints.

DataCite Commons2024-12-17 更新60

This dataset contains 24 molecular fingerprints calculated for a large set of structures taken from MCULE, SAVI, DUDE, LITPCBA, DEKOIS and MUV. Each zip file contains different fingerprints calculated

NIAID Data Ecosystem40

Targeting Acute Myelogenous Leukemia Using Potent Human Dihydroorotate Dehydrogenase Inhibitors Based on the 2‑Hydroxypyrazolo[1,5‑ a ]pyridine Scaffold: SAR of the Aryloxyaryl Moiety

SAR构效关系

急性髓系白血病

In recent years, human dihydroorotate dehydrogenase inhibitors have been associated with acute myelogenous leukemia as well as studied as potent host targeting antivirals. Starting from MEDS433 (IC50

NIAID Data Ecosystem20

MOESM1 of ChemSAR: an online pipelining platform for molecular SAR modeling

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MOESM1 of ChemSAR: an online pipelining platform for molecular SAR modeling

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