RInChIs, once generated, can provide a compact database for further analysis. The tools for doing this are below, and some helpful information is given in the help pages.

Python 3

Please note that the RInChI code now runs on Python 3

RInChI Addition

RInChIs can be added in such a way that the individual steps for a multistep reaction are combined into a single RInChI describing the whole process.

Enter the RInChIs representing the individual steps below. Be sure to list the steps in the correct order, with each one beginning on a new line.



RInChI Searching

RInChI databases (such as those produced by the RDfile converter above) can be searched for specific reagents in particular roles easily and quickly.

Enter the InChI to search for here:


Upload a RInChI database here:


Finally, select which roles you are searching for:
Reactant
Product
Equilibrium reagent
Reaction agent

RInChI Analysis (cyclic change overview)

RInChI databases can be analysed for reactions creating or destroying rings. This script is very fast, but approximate.

Upload a RInChI database for analysis here:


Select what to count:
Absolute change Change per molecule Change per cyclic molecule

List analysed RInChIs?

RInChI Analysis (stereochemical changes)

RInChI databases can be analysed for reactions creating or destroying stereochemistry.

Upload a RInChI database for analysis here:


Select what to count:
Defined centres only
All stereo centres SP2 centres only SP3 centres only
Absolute change Change per molecule Change per stereospecific molecule

List analysed RInChIs?

RInChI Detailed Cyclic Analysis

Small RInChI databses can be analysed for the presence and change in rings in greater detail: this script will give the change in rings for each reaction given by size, and, optionally, by composition.

Upload a RInChI database for analysis here:


Select what to count:
List by size List by composition

List analysed RInChIs?

RInChI Search by Ring Type

Small RInChI databases can be searched for reactions which create, destroy, or contain a specific kind of ring - for example, searching for all reactions which form a furan ring.

Upload a RInChI database for analysis here:


Enter a ring to search for here, eg. CCCCN for a pyrrole or pyrroldine ring:


Select what to count:
List analysed RInChIs?