RxnBLAST: molecular scaffold and reactive chemical environment feature extractor for biochemical reactions | Zendy

Xingxiang Cheng | Zendy; Dandan Sun | Zendy; Dachuan Zhang | Zendy; Yu Tian | Zendy; Shaozhen Ding | Zendy; Pengli Cai | Zendy; QianNan Hu | Zendy

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RxnBLAST: molecular scaffold and reactive chemical environment feature extractor for biochemical reactions

Author(s) -

Xingxiang Cheng,

Dandan Sun,

Dachuan Zhang,

Yu Tian,

Shaozhen Ding,

Pengli Cai,

QianNan Hu

Publication year - 2020

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/btaa036

Subject(s) - chemical space , scaffold , computer science , feature (linguistics) , chemical reaction , extractor , combinatorial chemistry , chemistry , chemical synthesis , computational biology , biological system , database , drug discovery , biochemistry , biology , engineering , process engineering , linguistics , philosophy , in vitro

Molecular scaffolds are useful in medicinal chemistry to describe, discuss and visualize series of chemical compounds, biochemical transformations and associated biological properties.

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