遇见数据集

Multi-Fingerprint Dataset

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Zenodo2021-10-04 更新2026-04-07 收录
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资源简介:

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 for the molecules in the database. Each file is a CSV file starting with the molecule name/ID and followed by a string of 0s and 1s.

提供机构:
NTNU
创建时间:
2021-10-04
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