SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript

Probst, Daniel; Reymond, Jean-Louis (2018). SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript. Journal of chemical information and modeling, 58(1), pp. 1-7. American Chemical Society 10.1021/acs.jcim.7b00425

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Here we present SmilesDrawer, a dependency-free JavaScript component capable of both parsing and drawing SMILES-encoded molecular structures client-side, developed to be easily integrated into web projects and to display organic molecules in large numbers and fast succession. SmilesDrawer can draw structurally and stereochemically complex structures such as maitotoxin and C60 without using templates, yet has an exceptionally small computational footprint and low memory usage without the requirement for loading images or any other form of client–server communication, making it easy to integrate even in secure (intranet, firewalled) or offline applications. These features allow the rendering of thousands of molecular structure drawings on a single web page within seconds on a wide range of hardware supporting modern browsers. The source code as well as the most recent build of SmilesDrawer is available on Github (http://doc.gdb.tools/smilesDrawer/). Both yarn and npm packages are also available.

Item Type:

Journal Article (Original Article)

Division/Institute:

08 Faculty of Science > Departement of Chemistry and Biochemistry

UniBE Contributor:

Probst, Daniel and Reymond, Jean-Louis

Subjects:

500 Science > 570 Life sciences; biology
500 Science > 540 Chemistry

ISSN:

1549-9596

Publisher:

American Chemical Society

Language:

English

Submitter:

Sandra Tanja Zbinden Di Biase

Date Deposited:

19 Dec 2018 13:25

Last Modified:

24 Oct 2019 07:48

Publisher DOI:

10.1021/acs.jcim.7b00425

BORIS DOI:

10.7892/boris.122691

URI:

https://boris.unibe.ch/id/eprint/122691

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