PPubMed5 Feb 2019Cited 13×

Programming languages in chemistry: a review of HTML5/JavaScript

Kevin J. Theisen

Abstract

This is one part of a series of reviews concerning the application of programming languages in chemistry, edited by Dr. Rajarshi Guha. This article reviews the JavaScript technology as it applies to the chemistry discipline. A discussion of the history, scope and technical details of the programming language is presented.

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This review investigates the relevance and impact of JavaScript on the chemistry discipline.

What’s new

i.This review investigates the relevance and impact of JavaScript on the chemistry discipline.
ii.A discussion of the history, scope and technical details of the programming language is presented.
iii.The article reviews the JavaScript technology as it applies to the chemistry discipline.

How they did it

We begin by discussing the history of the programming language; then we investigate the scope and features of the language and how it applies to chemistry; last, an outline of the technical details of the JavaScript programming language is presented to allow those interested in chemistry and cheminformatics to effectively create JavaScript applications.

What they found

Reading PDB entry 3CC2 runtime: Java 795 ms, JavaScript (Google Chrome) 1415 ms, JavaScript (Mozilla Firefox) 1214 ms, JavaScript (Apple Safari) 1394 ms.
Euler facet ring set for C60 fullerene runtime: Java 1035 ms, JavaScript (Google Chrome) 1134 ms, JavaScript (Mozilla Firefox) 1379 ms, JavaScript (Apple Safari) 8833 ms.
Euler facet ring set for LTA zeolite unit cell runtime: Java 3484 ms, JavaScript (Google Chrome) 6689 ms, JavaScript (Mozilla Firefox) 11960 ms, JavaScript (Apple Safari) 53458 ms.

Caveats

✕JavaScript is not developed with scientists in mind and is not optimized for scientific computing.
✕Global namespace pollution can cause conflicts in chemistry libraries.
✕Strict mode may be incompatible with some third‑party libraries.

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