Published August 19, 2024
| Version v2
Dataset
Open
Virtual screening data sets for fragmented interaction fingerprint
Creators
-
1.
Nara Institute of Science and Technology
- 2. Nara Institute of Science and Technology(NAIST)
Description
Data sets containing docking poses, structure-activity relationship matrix (SARM) train-test splitting, and 2048 bits extended connectivity fingerprint (ECFP) descriptors for six biological targets. Poses were generated by employing molecular docking using Molecular Operating Environment (MOE) software. Details will be described in the original publication.
Files
filtered_dataset.zip
Files
(525.5 MB)
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md5:f68514f3c379d1bb03f287ef9f8551ae
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