ci7b00425_si_001.pdf (1.34 MB)
SmilesDrawer: Parsing and Drawing SMILES-Encoded Molecular Structures Using Client-Side JavaScript
journal contribution
posted on 2017-12-19, 00:00 authored by Daniel Probst, Jean-Louis ReymondHere 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.