Response to the comment by Wolf Ihlenfeldt on the paper “Indexing molecules with chemical graph identifiers”

Comment on the paper “indexing molecules

Comment on the paper “indexing molecules with chemical graph Identifiers” by Elisabeth Gregori-Puigjané, Rut Garriga-Sust, and Jordi Mestres

✍ Wolf-D. Ihlenfeldt 📂 Article 📅 2011 🏛 John Wiley and Sons 🌐 English ⚖ 33 KB 👁 1 views

The authors of the article ' 'Indexing Molecules with Chemical Graph Identifiers' ' compare their new indexing algorithm with two other established structure key generators-NIST InChI keys and the structure hashcodes of the Cactvs toolkit. In the publication, a total of three examples are given wher