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rdkit_notebook's Introduction

RDKit_Notebook (Recommend run on Colab or jupyter with rdkit)

在学习RDKit,SMLIES,SMARTS时整理的资料, including RDKit Cookbook,The RDKit Book,and SMARTS examples.

2022/2/19, Read Daylight Theory Manual

日光公司的SMILES,SMARTS,SMIRTS的官方文档(理论), Documentations on Daylight Theory Manual

2022/2/20, Upload RDKit Cookbook.ipynb,

RDKit Cookbook.ipynb collecting codes on RDKit Cookbook-The RDKit 2021.09.1 documentation

2022/2/21, Upload SMARTS-tutorial.ipynb,

SMARTS-tutorial.ipynb collecting codes on CSDN:分子结构的子结构查询:SMARTS语言

2022/2/22, 发现有RDKit中文版教程的,有部分存在问题,可以作为参考。

RDKit 中文教程 2020.09版http://rdkit.chenzhaoqiang.com/basicManual.html

The RDKit Book 2021.09 documentation https://rdkit.org/docs/RDKit_Book.html#smarts-support-and-extensions

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