WebChem Viewer: a tool for the easy dissemination of chemical and structural data sets.

ABSTRACT:

Background

Sharing sets of chemical data (e.g., chemical properties, docking scores, etc.) among collaborators with diverse skill sets is a common task in computer-aided drug design and medicinal chemistry. The ability to associate this data with images of the relevant molecular structures greatly facilitates scientific communication. There is a need for a simple, free, open-source program that can automatically export aggregated reports of entire chemical data sets to files viewable on any computer, regardless of the operating system and without requiring the installation of additional software.

Results

We here present a program called WebChem Viewer that automatically generates these types of highly portable reports. Furthermore, in designing WebChem Viewer we have also cr

SUBMITTER: Durrant JD 

PROVIDER: S-EPMC4094277 | biostudies-literature | 2014 May

REPOSITORIES: biostudies-literature