Tutorials
In this section we have provided some tutorials that explore the capabilities of StarDrop and the optional modules.
For each tutorial we have provided links to download all the files required to walk-though the example yourself and in many cases there is also an explanatory video.
Inspyra
This worked example uses Inspyra™ to interactively explore optimisation strategies to achieve a selective inhibitor of DPP-4 with ... View Tutorial
Inspyra Matched Series Analysis
In this worked example, we will explore ways to use the Inspyra Panel, in combination with Matched Series Analysis (MSA). MSA goes ... View Tutorial
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 ... View Tutorial
Ligand-based drug design using Surflex eSim 3D
This worked example uses StarDrop’s Surflex eSim3D module to assess a small library of compounds for their similarity to known Heat ... View Tutorial
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 ... View Tutorial
Fast Follower: Optimising P450 Metabolic Stability
In this example we will explore the feasibility of pursuing a fast-follower for Buspirone, a 5-HT1A ligand used as an anti-anxiolytic ... View Tutorial
Addressing Toxicity Risk in Multi-Parameter Optimisation
In this example we will illustrate how knowledge-based predictions of toxicity can be used within a MPO environment to guide the ... View Tutorial
Scaffold Hopping with Library Enumeration
In this example we are going to use the library enumeration feature in StarDrop’s Nova module, in combination with R-group analysis, to View Tutorial
MPO Explorer: Automatically Building a Scoring Profile with Rule Induction
In this example we will use the Profile Builder in StarDrop’s MPO Explorer module to derive a multi-parameter scoring profile, based on View Tutorial
Automatic QSAR Model Building and Validation
This example explores the application of the Auto-Modeller module to build a QSAR model of potency against the Muscurinic Acetylcholine View Tutorial
R-Group Analysis
In this example we look at R-Group analysis of chemical series to identify key functionalities which influence potency. One example ... View Tutorial
Automatic Generation of New Compound Ideas
During this example we will consider three compounds from a lead series which we would like to try to evolve into a candidate. The ... View Tutorial
MPO Explorer: Sensitivity Analysis
In this example, we will use the Sensitivity Analysis tool in StarDrop’s MPO Explorer module to check if the ranking of compounds in a ... View Tutorial
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 ... View Tutorial
Guided Multi-Parameter Optimisation of 2D and 3D SAR
This worked example uses a combination of 2D and 3D methods to understand and optimise a virtual library of Heat Shock Protein 90 ... View Tutorial
SeeSAR Affinity – Binding Affinity and Torsion Angle Analysis of Virtual Libraries
This worked example explores ways to assess the binding affinity of docked compounds. The compounds in this example were generated as ... View Tutorial
SeeSAR Pose – 3D Analysis of Virtual Libraries
This worked example explores ways to assess and design compounds in 3D using the SeeSAR Pose module. The compounds in this example have View Tutorial
R-group Clipping of Reagents for Library Enumeration
This example explores some of the challenges typically encountered in scaffold-based library design, in particular the task of creating View Tutorial
Card View™ – Hit List Triage
In this example, Card View™ is applied to analyse the results from a kinase project in which a large screening campaign has resulted in View Tutorial
Analysis of High-throughput Screening Data
The following example uses a publicly available set of over 1000 compounds with data from a COX-2 inhibition screen. The example ... View Tutorial
Guiding Selection and Design in Hit-to-Lead
The objective in this example is to identify one or more high quality chemistries for progression to detailed in vitro and in vivo ... View Tutorial
Join The
Optibrium Community
Access a wealth of information on all of our products, learn more about our science and our wider community of collaborators.