Icon

Public

This directory contains 73 workflows.

Iconcdxml files in RDKit Python 

IconCNS Multiparameter Optimization 

Central Nervous System Multiparameter Optimization (CNS MPO) This workflow is based on the supplementary data given with the paper below. It includes […]

IconConditional insert into a database table 

Conditional insert into database table This workflow demonstrates how to do update an existing database table with new entries (while not overwriting […]

IconDatabase substructure search 

This workflow demonstrates how to do substructure search on a sqlite data base. The input substructure can be given in SMILES and then modified in the […]

IconDetect if WF runs on Server or local 

If run on the Webportal, this workflow is a simple interactive web app helping to explore potential compounds. First, the expert selects the molecular […]

Iconfilter-text-between-dates 

Split rows according to whether they contain "[TS:". but as many rows contained dates also in other format that didn't bring much benefit

Iconfixed 

IconHeader Line Break in Table Editor 

IconIdentify_​fragments_​multifragment_​structure 

IconJob config fetching 

There has been no description set for this workflow's metadata.