PulseExploreJournal ClubDebatesTrendingResearchersJournals
Instagram
HomeExploreJournal ClubTrending
Synapse
⌘+K
Synapse
October 7, 2011Journal of Cheminformatics11,389 citationsOpen Access

Open Babel: An open chemical toolbox

NONoel M. O’BoyleMBMichael BanckCJCraig A. James

Key Points

Key points are not available for this paper at this time.

Abstract

Open Babel presents a solution to the proliferation of multiple chemical file formats. In addition, it provides a variety of useful utilities from conformer searching and 2D depiction, to filtering, batch conversion, and substructure and similarity searching. For developers, it can be used as a programming library to handle chemical data in areas such as organic chemistry, drug design, materials science, and computational chemistry. It is freely available under an open-source license from http://openbabel.org.

Ask AI
Helpful
Bookmark
Share
View Full Paper

Cite This Study

O’Boyle et al. (2011) studied this question.

synapsesocial.com/papers/69d5d3b82c8f994bcf1f2cd7https://doi.org/10.1186/1758-2946-3-33
Ask AI
Helpful
Bookmark
Share
View Full Paper