IconSimilarity 1-2 

Find the most similar compounds to a sketched molecule in a database. Screen the same database against several query structures. [Requires: Canvas]

IconProtein model building 

Use the Multiple Sequence Viewer to edit an alignment and a corresponding homology model is built. A Glide grid is generated and the binding site is […]

IconLiveDesign 1-2 

Structures and properties are retrieved from Live Design. New properties are added to an existing Live report. [Products: Live Design]

IconMCSS 1-3 

Create all possible MCS groups and list the groups identified. Inspect the compounds in the first group and list the compounds that aren't included in this […]

IconAutoQSAR 

Generate QSAR models for a chosen property of a set of compounds, and apply the QSAR nodel to other compounds, with either traditional QSAR methods or […]

IconSubstructure 1 

Search a set of structures against a sketched query molecule or SMARTS patterns. Report the compounds that don't pass all the REOS filters. [Requires: […]

Icon05_​Multiple Sequence Viewer 

[Version: 3.0.0 Requires: only the free node plugin and a Maestro installation for some workflows]

IconRun PyMOL 1-2 

Display structure in PyMOL. Run PyMOL commands and save the modified structures. Raytrace views and save the images. [Requires: Maestro, PyMOL] […]

IconGroup looper 

Illustrate how to iterate over structures in the input table with two different looper implementations. Extract the second lowest energy conformer of each […]