by Marina Chenery | Sep 18, 2023 | StarDrop Tutorials, Tutorials
Matched Series Analysis The objective in this worked example is to identify new derivatives that are likely to improve activity at their target, given the SAR already generated on a project. To try this example yourself, download the data file and follow the...
by Marina Chenery | Jun 9, 2022 | StarDrop Tutorials, Tutorials
Inspyra This worked example uses Inspyra™ to interactively explore optimisation strategies to achieve a selective inhibitor of DPP-4 with appropriate physicochemical properties. Starting from a data set of compounds representing three chemical series based on...
by Marina Chenery | Jun 9, 2022 | StarDrop Tutorials, Tutorials
In this worked example, we will explore ways to use the Inspyra Panel, in combination with Matched Series Analysis (MSA). MSA goes beyond Matched Pair Analysis and uses longer series of matched compounds to propose new substitutions that are likely to improve activity...
by Marina Chenery | May 19, 2022 | StarDrop Hints and Tips, StarDrop Tutorials, Tutorials
Matched Pairs Neighbourhood Analysis This short video gives an introduction to the Matched Pairs Neighbourhood tool in StarDrop’s Card View. If you are interested in doing a data set-wide matched pairs analysis, see our Matched Molecular Pairs Analysis...
by Marina Chenery | May 19, 2022 | StarDrop Hints and Tips, StarDrop Tutorials, Tutorials
This worked example uses StarDrop’s Surflex eSim3D module to assess a small library of compounds for their similarity to known Heat Shock Protein 90 (HSP90) ligands. The library, created by a de novo design process, contains compounds with a beta resorcylic acid core....
by Marina Chenery | May 19, 2022 | StarDrop Hints and Tips, StarDrop Tutorials, Tutorials
Reaction-based Library Enumeration In this example, we are going to use the reaction-based library enumeration feature in StarDrop’s Nova module to generate a library of virtual compounds. This will be based on pre-defined sets of reagents that will be used to...