Fig. 2
From: canSAR chemistry registration and standardization pipeline
Implemented KNIME workflow for compound standardization and registration. A Structure import and creation of variables for the writing of output files. B Structures checker. C Standardization. D Output generation for standardized compounds. E Canonical representative generation. F Salt stripping and generation of unsalted canonical representative output file/s. G Stereoisomery, isomerism and isotopes strip with the generation of the abstract compounds. H Node to execute in order to run the pipeline