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A practical Java tool for small-molecule compound appraisal.

Parisa AmaniTodd SneydSarah PrestonNeil D YoungLyndel MasonUlla-Maja BaileyJonathan BaellDavid CampRobin B GasserAlain-Dominique GorsePaul TaylorAndreas Hofmann
Published in: Journal of cheminformatics (2015)
cApp is a personal database solution for small-molecule compounds which can handle all major chemical formats. Being a standalone software, it has no other dependency than the Java virtual machine and is thus conveniently deployed. It streamlines the analysis of molecules with respect to physico-chemical properties and drug discovery criteria; cApp is distributed under the GNU Affero General Public License version 3 and available from http://www.structuralchemistry.org/pcsb/. To download cApp, users will be asked for their name, institution and email address. A detailed manual can also be downloaded from this site, and online tutorials are available at http://www.structuralchemistry.org/pcsb/capp.php.
Keyphrases
  • small molecule
  • drug discovery
  • protein protein
  • healthcare
  • social media
  • adverse drug
  • deep learning
  • emergency department
  • health information
  • machine learning
  • data analysis