Videos & Tutorials
Explore our library of StarDrop tutorials, demonstrations, hints and tips and presentations.
Introduction to StarDrop™
With its comprehensive suite of integrated software, StarDrop delivers best-in-class in silico technologies within a highly visual and ... View
Inspyra™– Introduction
Learn how Inspyra™ combines your expert chemistry knowledge and the exploratory power of generative methods to help you identify ... View
Cerella™– Introduction
Presented by Matt Segall. See how Cerella™ can accelerate your discovery work by: Proactively highlighting valuable compounds by ... View
Inspyra
This worked example uses Inspyra™ to interactively explore optimisation strategies to achieve a selective inhibitor of DPP-4 with ... View
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
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
Seamless integration between StarDrop and CDD Vault
This short video gives an outline of how to connect directly to CDD Vault, run saved searches against projects of your choice and ... View
Surflex eSim3D, ligand-based design
This video gives a brief overview of StarDrop's Surflex eSim3D module, providing you with access to industry-leading 3D ligand-based ... View
Pose Generation Interface
This short video illustrates how StarDrop's universal Pose Generation Interface provides a seamless link between StarDrop and 3D ... View
Large Scale Imputation of Drug Discovery Data using Deep Learning
Held on 26 May 2020. This webinar was presented by Ben Irwin and Matthew Segall (Optibrium), Tom Whitehead (Intellegens) and Scott ... View
Translational Toxicology: Data visualisation across phases
Held on 12 May 2020. This webinar was presented by Aishling Cooke and Matthew Segall. This webinar focused on the design of ... View
Practical Applications of Deep Learning to Imputation of Drug Discovery Data Video
Held on 28 April 2020. This webinar was presented by our guest Julian Levell (Constellation Pharmaceuticals) and Ben Irwin (Optibrium). View
Predicting Reactivity to Drug Metabolism: Beyond P450s – Modelling FMOs and UGTs Video
Held on 31 March 2020. After the success of the current P450 models it is time to introduce additional enzyme systems to StarDrop and ... View
pKa Prediction using Quantum Mechanics and Machine Learning
Held on 29 October 2019. The dissociation of a proton from a heteroatom has a significant influence on the charge distribution and ... View
Predicting pKa in StarDrop’s ADME QSAR module
This short video gives an introduction to the model of pKa in StarDrop's ADME QSAR module. This model combines quantum mechanics and ... View
StarDrop’s SeeSAR View module
This short video gives an introduction to StarDrop's SeeSAR View module, which enables you to visualise your ligands in their protein ... View
StarDrop’s SeeSAR Affinity module
This short video gives an introduction to StarDrop's SeeSAR Affinity module, that uses the award-winning HYDE scoring method to analyse View
StarDrop’s SeeSAR Pose module
This short video gives an introduction to StarDrop's SeeSAR Pose module, that generates compound poses for virtual screening and ... View
Chemical Space Navigation
Ultra-fast search of 11 billion compounds Held on 12 September 2019. In this webinar, presented by our guest, Dr. Franca Klingler from ... View
Capturing and Applying Knowledge to Guide Compound Optimisation Video
Held on 25 June 2019. In this webinar, presented by Matt Segall (Optibrium), we explore how computational methods for capturing and ... View
Do We Need to Change the Definition of Drug-Like Properties?
Held on 21 May 2019. In this webinar Mike Shultz (Novartis) presented; two decades have passed since the Rule of Five (Ro5) ushered in ... View
Generating Synthetic Pathways for Target Molecules
In this webinar, held on 26 March 2019, Ed Champness (Optibrium) and Valentina Eigner-Pitto (InfoChem) presented an overview of the new View
Using Deep Learning to Impute Protein Activity
Held on 7 February 2019. In this webinar, presented by Matt Segall (Optibrium) and Tom Whitehead (Intellegens), you can learn more ... View
An Introduction to StarDrop 6.5
In this webinar, held on 12 July 2018, Nick Foster provided an overview of some of the core capabilities of StarDrop alongside new ... View
R-group Analysis Video 2
StarDrop's R-group analysis makes it quick and easy to explore the variation of properties by the substituents within a chemical ... View
R-group Clipping
StarDrop's R-group clipping tool enables you to quickly transform chemical building blocks into their corresponding substituents. These View
StarDrop™ Data Visualisation Introduction
This short video gives an overview of StarDrop's rich data visualisation capabilities. The videos in the following series introduce how View
Copy and Paste From StarDrop
This short video illustrates how to you can simply copy selected compound identifiers, structures and any data directly from StarDrop ... View
Advanced Chart Formatting
Here we'll show how to tailor the format scales in your charts to highlight the property ranges in which you're most interested. This ... View
Adding Multiple Series to a Chart in StarDrop™
You can create very information-rich visualisations by plotting multiple series on a single chart. In this video, we'll show you ... View
Trellising in StarDrop™
A trellis enables you to compare the same chart for multiple categories of compound. This video shows you how, with just a few ... View
Copying or Printing your Charts in StarDrop™
In this video we show how easy it is to copy your charts directly into your presentations and reports or print them directly from ... View
Customising your Chart In StarDrop
To see some of the many ways you can customise your chart, by setting fonts and colours or adding grids and lines, watch this short ... View
Annotating your Chart in StarDrop™
You can add labels to your charts showing structure and data for key compounds or display your comments. Watch this quick video to see ... View
Editing Chart Axes and Title in StarDrop™
Watch this video to see how you can edit the title of your chart and its axes, to precisely define their position, range, tick marks ... View
Creating a Dashboard in StarDrop™
Here we'll see how to create a 'dashboard' containing multiple interactive charts, giving an instant overview of your project ... View
Interacting with your Chart in StarDrop™
In this quick video, we show the many ways you can interact with your chart to show exactly the data you wish and link visualisations ... View
Formatting your Chart in StarDrop™
This video demonstrates how to format your charts, using the properties in your data set, by colour, size, symbol, transparency... The ... View
Creating a Chart In StarDrop™
This short video introduces how to use the data visualisation area in StarDrop to quickly create a chart in StarDrop from your data The View
StarDrop’s Glowing Molecule
StarDrop's Glowing Molecule brings model predictions to life, showing you which parts of a molecule are having the biggest impact on ... View
Hit to Lead Optimisation With the Aid of StarDrop
In this webinar, held on 17 April 2018, Claire Le Manach and Tanya Paquet, (H3D, University of Cape Town) and Dominique Besson (MMV) ... View
Webinar – Protein ligand docking with GOLD
In this webinar, held on 13 December 2017, Juliette Pradon, of Cambridge Crystallographic Data Centre describes the science behind the ... View
Importing Your Data into StarDrop
This short video illustrates how to import your data into StarDrop from standard file formats, such as SD, SMILES, CSV and text ... View
Collaborative Drug Discovery for the 21st Century
In this webinar, held on 30 November 2016, Barry Bunin, CEO of Collaborative Drug Discovery, describes their CDD Vault software, ... View
Searching eMolecules from StarDrop
This short video illustrates how a seamless link to eMolecules' comprehensive database of commercially available compounds helps to ... View
Query Interface
This short video illustrates how StarDrop's Query Interface provides a seamless link to your in-house databases, enabling you to ... View
Using Cresset’s Electrostatics to Inform 3D Molecular Design
In this webinar, held on 29 September 2016, Tim Cheesright of Cresset described how they use electrostatics to inform 3D molecular ... View
Starting from Scratch: Can we build a data analytics infra-structure that makes a difference?
In this webinar, held on 28 June 2016, Ashley Fenwick of Zoetis described the strategy they adopted to build a new software ... View
Introduction to Card View Designer
This short video illustrates how to you can create Cards of any dimensions and lay out your data in a flexible format, along with your ... View
Linking 2D and 3D SAR with the SeeSAR Module
This short video illustrates how you can visualise the structure of protein-ligand complexes in the SeeSAR module, seamlessly linking ... View
Flexible Substructure Searching
This short video illustrates how to perform flexible substructure searches, including variable atoms, bonds and linkers using ... View
The Magic Behind SeeSAR
In this webinar, held on 6 April 2016, Marcus Gastreich of BioSolveIT described the technology underlying their HYDE scoring function ... View
Avoiding Missed Opportunities by Analysing the Sensitivity of our Decisions Video
We presented this webinar on 24 February 2016, in which we discussed how you can ensure that you don't miss valuable opportunities due ... View
Guiding the Design of High Quality Compounds: Predictive ADME Modelling and Multi-Parameter Optimisation
We presented this webinar, hosted by BioSolveIT on 9 December 2015, in which we discussed predictive modelling of ADME properties and ... View
Structure-Based Design on the Chemists’ Desktops
Christian Lemmen, CEO of BioSolveIT, gave this presentation at Optibrium's Drug Discovery Consultants' Day on 18 November 2015. In it, ... View
R-group Matched Pairs
This short video illustrates how to perform Matched Molecular Pair Analysis (MMPA) within a chemical series using StarDrop's R-group ... View
Data Visualisation: New Directions or Just Familiar Routes?
This Webinar was presented by Ed Champness on 28 October 2015. Data visualization tools make it very easy to represent our data ... View
Introducing StarDrop 6.1
This Webinar was presented by Matt Segall on 22 September 2015. StarDrop 6.1 was launched in June, offering a number of new features ... View
Quantum mechanical models of P450 metabolism to guide optimization of metabolic stability Video
In this webinar, held on 17 June 2015, Jon Tyzack described how quantum mechanical models of P450 metabolism can be used to guide ... View
Introduction to Matched Series Analysis
This short movie gives an introduction to StarDrop's Matched Series Analysis which is part of the Nova module which searches databases ... View
Introduction to P450 Module
This short movie gives an introduction to StarDrop's P450 module which enables you to quickly identify the regions of your molecules ... View
Keeping Track of Selected Compounds
StarDrop's provides a number of ways to help you keep track of compounds you have selected. Take a look at these quick examples... To ... View
Projects
StarDrop project files enable you to save all of your data sets, visualisations, scoring profiles and templates in a single file making View
Summary Analysis
StarDrop's Summary tool enables you to quickly see trends across the properties in your data sets. Take a look at this quick ... View
Matched Series for SAR Analysis
This worked example considers a publically available set of PPARγ pIC50 data which contains a number of chemical series. Matched Series View
Beyond Matched Pairs: Applying Matsy to predict new optimisation strategies
In this webinar, held on 14 April 2015, Noel O'Boyle of NextMove Software described how matched series analysis can predict new ... View
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
Introducing StarDrop’s Card View: Break free from spreadsheets
This Webinar was presented by Matt Segall on 7th November 2014. StarDrop's new Card View is a ground-breaking and intuitive way to view View
Matched Molecular Pair Analysis
This short video gives an introduction to the Matched Molecular Pair Analysis tool in StarDrop and how you can interact with the ... View
Activity Neighbourhoods
This short video gives an introduction to the Activity Neighbourhood analysis tool in StarDrop's Card View. The next video in the ... View
Activity Landscapes
This short video gives an introduction to the Activity Landscape analysis tool in StarDrop and how you can view and interact with the ... View
Clustering Video 2
This short video gives an introduction to the Clustering tool in StarDrop and how you can interact with the results in Card View. The ... View
Working with Links
This short video gives an introduction to working with links in StarDrop's Card View. The next series of videos will give introductions View
Working with Stacks
This short video gives an introduction to working with stacks in StarDrop's Card View. The next video in the series gives an ... View
Working with Cards
This short video gives an introduction to working with cards in StarDrop's Card View. The next video in the series gives an ... View
Tools for Arranging Cards
This short video gives an introduction to the tools provided by StarDrop's Card View that help you to arrange cards for your data set ... View
Card View™ – Getting Started
This short video provides some hints and tips to help you to get started using Card View™. The next video in the series gives an ... View
Introduction to Card View
This short video gives a brief introduction to StarDrop's Card View that provides a unique and intuitive approach to working with your ... View
Calculating Properties in Asteris
Using Asteris you can calculate a range of simple “core properties”, such as logP, molecular weight, polar surface area and numbers of ... View
Glowing Molecules
Predictive models capture information about the relationship between the structures of compounds and their properties. Asteris’ models ... View
Editing molecules in Asteris
The asteris app enables you to create and edit molecules using a series of simple gestures. These are illustrated in this short ... View
Addressing Toxicity Risk when Designing and Selecting Compounds in Early Drug Discovery Video
This Webinar was presented by Scott McDonald, Lhasa Limited, and Matt Segall on 18th June 2014. It has been estimated that toxicity ... View
Data Set Filtering
This short movie illustrates how to use the data set filtering tool withing StarDrop to remove compounds with unwanted substructures or View
R-Group Analysis 3
This short demo gives a quick introduction to how StarDrop's R-group analysis functionality can be used to explore the relationships ... View
Information Rich SAR Plots
This short video illustrates how to create information-rich SAR plots, including pie charts, histograms, scatter plots, radar plots, ... View
Library Enumeration and R-group Clipping
Explore the virtual library design capability as part of StarDrop's Nova module, providing flexible and easy scaffold-based enumeration View
Fragment-based screening, what can we learn from published hits?
This talk was given by Dr Chris Swain, Cambridge MedCem Consulting, at Optibrium's Drug Discovery Consultants' Day - November 2013. A ... View
AtlasCBS script for StarDrop
In this video, Dr Celerino Abad-Zapatero describes his approach for exploring chemico-biological space using Ligand Efficiency ... View
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
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
Introduction to data visualisation
This short demo introduces the different types of data visualisations that can be created within StarDrop, including scatter plots, box View
Building a QSAR Model
In this demo we use the Auto-Modeller to build a QSAR model of some measured data for target affinity. Using this new model we guide ... View
BIOSTER Video
This short demo introduces StarDrop's BIOSTER module. The BIOSTER module contains a unique compilation of over 20,000 precedented ... View
Compound Prioritisation and Selection
In this demo we're going to take a look at how StarDrop can guide the prioritisation and selections of compounds using a combination of View
Automatic Generation of New Chemistry Ideas
In this demo we take a look at how StarDrop's Nova plug-in module can be used to generate new compound ideas. Starting with three lead ... View
Addressing Toxicity in Compound Prioritisation and Selection
In this demo we're going to take a look at how toxicity predictions from the Derek Nexus module can be included in StarDrop's ... View
Redesign to Reduce Toxicity Risk
In this demo we look at how it's possible to use the Derek Nexus module with StarDrop to guide the design of new analogues around a ... View
R-Group Analysis Video
The objective in this example is to take a look at an R-Group analysis of two data sets to identify functionalities which are ... View
Card View™ – Hit List Triage
In this example Card View™ is applied to the results from a kinase project in which a large screening campaign has resulted in a hit ... View
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 ... View
Comparing Chemical Series with Probabilistic Scoring
This example is taken from a project in which screening of a diverse library resulted in hits from multiple chemistries. Without the ... View
Probabilistic Scoring
StarDrop's probabilistic scoring is a powerful multi-parameter optimisation (MPO) technique but we've made it really easy to use so ... View
Merging Data Sets
Do you ever have trouble merging new experimental data back in with all the other information you have for your project? StarDrop makes View
Clustering Video
The clustering tool makes it easy to identify groups of similar compounds within a dataset based on either their structure or ... View
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