Reactions
International Chemical Identifier for Reactions (RInChI)
International Chemical Identifier for Reactions (RInChI) What is RInChI and how does it revolutionize the handling of reaction databases? Gerd Blanke, Günter Grethe, Hans Kraut, Jonathan Goodman ChemAxon User Meeting Europe 2018, Budapest, March 21st, 2018 PowerPoint Presentation
The RInChI Project
The RInChI Project https://www-rinchi.ch.cam.ac.uk/ https://www-rinchi.ch.cam.ac.uk/rinchi.php The aim of the RInChI Project is to create a unique, canonical, text string to describe a reaction. Different researchers working on the same reaction should be able to generate the same RInChI without needing to confer with each other
A possible extension to the RInChI as a means of providing machine readable process data
A possible extension to the RInChI as a means of providing machine readable process data Philipp-Maximilian Jacob, Tian Lan, Jonathan M. Goodman & Alexei A. Lapkin Journal of Cheminformatics volume 9, Article number: 23 (2017) Abstract: The algorithmic, large-scale use and analysis of reaction databases such as Reaxys is currently hindered by the absence of […]
Analysing a billion reactions with the RInChI
Analysing a billion reactions with the RInChI Jonathan M. Goodman, Gerd Blanke and Hans Kraut From the journal Pure and Applied Chemistry Abstract: The RInChI is a canonical identifier for reactions which is widely used in reaction databases. It can be used to handle large collections of reactions and to link information from diverse data […]
International chemical identifier for reactions (RInChI)
International chemical identifier for reactions (RInChI) Guenter Grethe, Jonathan M Goodman & Chad HG Allen Journal of Cheminformatics volume 5, Article number: 45 (2013) Abstract: The IUPAC International Chemical Identifier (InChI) provides a method to generate a unique text descriptor of molecular structures. Building on this work, we report a process to generate a unique […]
International chemical identifier for reactions (RInChI)
International chemical identifier for reactions (RInChI) Guenter Grethe, Gerd Blanke, Hans Kraut & Jonathan M. Goodman Journal of Cheminformatics volume 10, Article number: 22 (2018) May 9, 2018 Abstract: The Reaction InChI (RInChI) extends the idea of the InChI, which provides a unique descriptor of molecular structures, towards reactions. Prototype versions of the RInChI have been available since 2011. The […]