期刊
MOLECULES
卷 15, 期 8, 页码 5079-5092出版社
MDPI AG
DOI: 10.3390/molecules15085079
关键词
open-source; checkmol; matchmol; functional groups; structure databases
An open-source software package for creating and operating web-based structure and/or reaction databases is presented. Besides standard search capabilities (text, structure/substructure/similarity), the system offers a fast additional search option, entirely based on binary pattern matching, which uses automatically assigned functional group descriptors.
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