Concepedia

Cinfony – combining Open Source cheminformatics toolkits behind a common interface

Noel M. O’Boyle, Geoffrey Hutchison

Chemistry Central Journal · 2008 · 59 citations · 5 references

Open access

Abstract

By providing a simplified interface and improving interoperability, Cinfony makes it easy to combine complementary features of OpenBabel, the CDK and the RDKit.

References

5

ZINC − A Free Database of Commercially Available Compounds for Virtual Screening

John J. Irwin, Brian K. Shoichet · Journal of Chemical Information and Modeling · 2004 · 4K citations · Full text

Engineering, Hit Identification, Molecular Biology +19

The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics

Christoph Steinbeck, Yongquan Han, Stefan Kühn et al. · Journal of Chemical Information and Computer Sciences · 2003 · 1.1K citations · Full text

Engineering, Molecular Biology, Computational Chemistry +20

Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit

Noel M. O’Boyle, Chris Morley, Geoffrey Hutchison · Chemistry Central Journal · 2008 · 440 citations · Full text

Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles

Peter Murray‐Rust, Henry S. Rzepa · Journal of Chemical Information and Computer Sciences · 1999 · 228 citations

Engineering, Semantic Web, Information Retrieval +16

Chemical Markup, XML, and the World Wide Web. 4. CML Schema

Peter Murray‐Rust, Henry S. Rzepa · Journal of Chemical Information and Computer Sciences · 2003 · 174 citations

Engineering, Organic Chemistry, Computational Chemistry +22