ChemDoodle Mobile Molecule Editor: A User Friendly Molecule Editor

Author(s)

Shaikh, K. A.

Author's Affiliation

Abstract

Since last century or couple, chemistry has produced an infinite amount of data and the amount of this data is rapidly increasing. All this data and information have to be managed and accessed by storing them in an appropriate database. That is possible through revolution of Chemoinformatics. This led software developers with knowledge of chemistry to collect, compile and store that amount of data via a software. Molecule editors are nothing but for such purposes. Advancement in electronic and computer field emphasized chemoinformatician to develop molecule editors for smartphones. ChemDoodle is created by well-known organization, iChemLabs. Like desktop molecule editor, mobile version does also have salient features as drawing of structures, 3D representation of molecule, predicting ¹H and ¹³C NMR, searching of molecule along with saving of the same. It does also include IUPAC nomenclature of compound with other parameters. In drawing tool, cyclic rings like cyclopropane ring, cyclobutane ring, cyclooctane ring, benzene ring, cyclohexane ring, cycloheptane ring, cyclopentane ring are made available for ease of chemist. The drawn molecule can also be edited, moved within a sheet, cleared and copied. Despite of it advantages and merits, ChemDoodle has certain limitations. In case of NMR, ChemDoodle can only predict shifts for nuclei where environments are well described in its database. Mobile apps make up the platform of the future study. With the advances in the smartphone industry, mobile molecule editors have become main area of interest.

Keywords

Chemoinformatics, ChemDoodle, Main toolbar, MolGrabber, NMR

Cite This Article

Shaikh, K. A. (2014). ChemDoodle Mobile Molecule Editor: A User Friendly Molecule Editor. International Journal for Pharmaceutical Research Scholars (IJPRS), 3(3), 353-362.