Additional file 1 of Chemoinformatics-based enumeration of chemical libraries: a tutorial

Additional file 1. This document describes the substructure search in the ZINC database; the filter parameters for Congreve’s Rule of 3 used in the FAF-Drugs server; the instructions for filtering substructures in Data Warrior and Figure S1.补充文件1。本文档详细说明了ZINC数据库（ZINC database）中的子结构搜索方法、FAF-Drugs服务器（FAF-Drugs server）所采用的康格里夫三规则（Congreve’s Rule of 3）过滤参数，以及在Data Warrior软件中进行子结构过滤的操作指引与补充图S1（Figure S1）的相关说明。