Public
This directory contains 4 workflows.
MS-ready_2.5.8
Standardization workflow for Mass Spectrometry chemical structures pretreatment. Performs required structure standardization tasks (related to […]
MS-ready_2.5.8-knime_4.1
Standardization workflow for QSAR-ready chemical structures pretreatment. Performs required structure standardization tasks (related to salts/solvents, […]
QSAR-ready_2.5.8
Standardization workflow for QSAR-ready chemical structures pretreatment. Performs required structure standardization tasks (related to salts/solvents, […]
QSAR-ready_2.5.8_knime_4.1
Standardization workflow for QSAR-ready chemical structures pretreatment. Performs required structure standardization tasks (related to salts/solvents, […]