Dataset - Papyrus - A large scale curated dataset aimed at bioactivity predictions

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

附加文件的修正版本：
- 在05.6_additional_files的过往版本中，部分描述符的数据类型被错误分配
- 本修正版本中所有数据类型均已更正无误

本数据仓库包含Papyrus数据集（Papyrus dataset）的05.6版本，该数据集为小分子生物活性聚合数据集，相关详情参见论文《Papyrus——面向生物活性预测的大规模经整理数据集》，DOI：10.1186/s1332-022-00672-x。

相较于05.5版本的更新内容如下：
- 启用小分子过滤规则，筛除分子量（MW）小于200或大于800的化合物、含重金属的化合物以及混合物
- 新增TID列，该列存储原始蛋白质标识符的相关信息