Dataset - Papyrus - A large scale curated dataset aimed at bioactivity predictions
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Fixed version of additional_files: - In the previous version of 05.6_additional_files the data type of some descriptors was assigned incorrectly - In this fixed version data types are correct This repository contains version 05.6 of the Papyrus dataset, an aggregated dataset of small molecule bioactivities, as described in the article "Papyrus - A large scale curated dataset aimed at bioactivity predictions" doi.org/10.1186/s13321-022-00672-x. Changes compared to version 05.5 - applied small molecule filter that filters out compounds with a MW < 200 or > 800, heavy metal containing compounds and mixtures - include TID column which contains information on the original protein identifier
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Zenodo创建时间:
2022-11-29



