Table 2

Software comparison
Name Simplicity/usability Programs required to view the output Cost/open source Operating systems
WebChem Viewer A single program dedicated only to generating reports. Any modern web browser Free for everyone. Open source. Linux, OSX, Windows
Maestro “The unified interface for all Schrödinger software,” with advanced tools to support molecular modeling, drug discovery, etc. Maestro Free version available. Closed source. Linux, older versions of OSX, Windows.
ChemDraw with Microsoft Excel A full featured chemical drawing program with myriad tools for conversion, querying, enumerating, etc. ChemDraw, Microsoft Excel Commercial license: $540-$1,540. Closed source. Windows only
Instant JChem Straightforward interface for managing molecular databases. Instant JChem, Adobe Acrobat Reader, Microsoft Excel Free for academics, $420-$1610 otherwise. Closed source. Linux, OSX, Windows

WebChem Viewer compared to Schrödinger’s Maestro, PerkinElmer’s ChemDraw, and ChemAxon’s Instant JChem.

Durrant and Amaro

Durrant and Amaro BMC Bioinformatics 2014 15:159   doi:10.1186/1471-2105-15-159

Open Data