Videos & Webinars

Explore our library of StarDrop tutorials, demonstrations, hints and tips, presentations and our expansive archive of webinars.

A Global Deep Learning Model for Global Health Drug Discovery

A Global Deep Learning Model for Global Health Drug Discovery

This webinar was presented by Samar Mahmoud and Matt Segall.  In this webinar, we described the generation and validation of a 'global' View

Cerella™: Reduce the time and cost of your discovery cycles with deep learning

Cerella™: Reduce the time and cost of your discovery cycles with deep learning

This webinar was presented by Matt Segall.  In this webinar, we demonstrate how Cerella™ highlights new opportunities and guides more ... 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

Reaction-based Library Enumeration

Reaction-based Library Enumeration

This webinar was presented by Matt Segall, Peter Hunt and Imants Zudans.  In this webinar, we demonstrated how to generate virtual ... View

From Similarity to SAR

From Similarity to SAR

This webinar was presented by Matt Segall and Peter Hunt.  In this webinar, we present a flexible and intuitive framework in which ... View

Informatics for Effective Drug Discovery

Informatics for Effective Drug Discovery

Held on 17 November 2020. Informatics for Effective Drug Discovery This symposium was hosted by Optibrium and Collaborative Drug ... View

Predicting Pharmacokinetic Parameters and Curves

Predicting Pharmacokinetic Parameters and Curves

Held on 11 November 2020. Predicting Pharmacokinetic Parameters and Curves This webinar was presented by Matt Segall, Tom Whitehead ... View

Deploying Cerella™ for Active Learning using Deep Learning Imputation

Deploying Cerella™ for Active Learning using Deep Learning Imputation

Held on 27 October 2020. Deploying Cerella™ for Active Learning using Deep Learning Imputation This webinar was presented by Matt ... View

Multi-parameter Optimisation in Practice

Multi-parameter Optimisation in Practice

Held on 8 September 2020. Multi-parameter Optimisation in Practice This webinar was presented by Ed Champness, Tim Hohm and John ... View

AI-guided Design of Antimalarials with In Vitro Validation

AI-guided Design of Antimalarials with In Vitro Validation

Held on 26 May 2020. AI-guided Design of Antimalarials with In Vitro Validation This webinar was presented by Ben Irwin and Matthew ... View

Informatics for Effective Drug Discovery

Informatics for Effective Drug Discovery

Held on 2 June 2020. Informatics for Effective Drug Discovery This symposium was presented by Scott Lyon (Optibrium), Charlie ... View

Large Scale Imputation of Drug Discovery Data using Deep Learning

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

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

Practical Applications of Deep Learning to Imputation of Drug Discovery Data

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

Predicting Reactivity to Drug Metabolism: Beyond P450s – Modelling FMOs and UGTs

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

SeeSAR Pose – 3D Analysis of Virtual Libraries

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

SeeSAR Affinity – Binding Affinity and Torsion Angle Analysis of Virtual Libraries

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

The Latest Features of StarDrop 6.6

Held on 13 November 2019. In this webinar, presented by Matt Segall, we introduce the exciting new features in StarDrop 6.6, including: 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, that 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

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

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

Introduction to StarDrop

With its comprehensive suite of integrated software, StarDrop delivers best-in-class in silico technologies within a highly visual and ... View

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

You can create very information-rich visualisations by plotting multiple series on a single chart. In this video, we'll show you ... View

Trellising

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 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

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

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

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

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 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

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

This short video introduces how to use the visualisation area in StarDrop to quickly create a chart from your data The following video ... 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

Pose Generation Interface

This short video illustrates how StarDrop's universal Pose Generation Interface provides a seamless link between StarDrop and 3D ... 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

Data visualisation: Saying it all in a bite-sized chunk

This Webinar was presented by Ed Champness on 6 June 2017. We often use the term “data visualisation” to refer to the creation of plots 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

Guided Multi-Parameter Optimisation of 2D and 3D SAR

This example uses a combination of 2D and 3D methods to understand and optimise a virtual library of Heat Shock Protein 90 (HSP90) ... 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

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

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

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

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

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

This short demo gives a quick introduction to how StarDrop's R-group analysis functionality can be used to explore the relationships ... 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

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

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

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

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

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

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

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

torch3D

In this demo we take a look at how StarDrop's torch3D module can be used to compare the molecular fields of compounds with those of a ... 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

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

Automatic QSAR Model Building and Validation

This tutorial walks through the process of building and validating a QSAR model of Muscarinic Acetlycholine M5 receptor potency using ... View

Automatic Generation of New Compound Ideas

The objective in this tutorial is to evolve the chemistry around three lead compounds which have good ADME properties but which have ... 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

Multi-Parameter Optimisation of 3D SAR

In this example we will explore the multi-parameter optimisation of a series of CDK2 inhibitors, combining a 3D insight into the ... 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

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

Glowing Molecule

StarDrop's R-group clipping tool enables you to quickly transform chemical building blocks into their corresponding substituents. These 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

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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