by Thanos Panagiotidis | Oct 17, 2013 | Presentations and Webinars, Videos
AtlasCBS script for StarDrop In this video, Dr Celerino Abad-Zapatero describes his approach for exploring chemico-biological space using Ligand Efficiency variables which is now implemented as a downloadable script add-on for StarDrop. If you would like to use this... by Thanos Panagiotidis | Oct 16, 2013 | Tutorials
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 demonstrates different ways to analyse the inhibition data from an HTS campaign to identify high... by Thanos Panagiotidis | Oct 16, 2013 | Tutorials
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 selection and design of compounds with a good balance of properties and reduced... by Thanos Panagiotidis | Oct 16, 2013 | Tutorials
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 generate a virtual library representing a potential new lead series. This will be based on... by Thanos Panagiotidis | Oct 16, 2013 | Tutorials
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 a data set initially described by Wager et al. [ACS Chem....
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