Videos & Tutorials

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

StarDrop 7.4 heat maps

StarDrop 7.4 heat maps

In StarDrop you can display heat maps for the properties contributing to an MPO score. We’ve extended this capability by adding a ... View

Introduction to StarDrop™

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

Inspyra™– Introduction

Learn how Inspyra™ combines your expert chemistry knowledge and the exploratory power of generative methods to help you identify ... View

Cerella™– Introduction

Cerella™– Introduction

Presented by Matt Segall. See how Cerella™ can accelerate your discovery work by: Proactively highlighting valuable compounds by ... View

Inspyra

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

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

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

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

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

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

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

Scaffold Hopping with Library Enumeration

Video Summary In this example, Scaffold Hopping with Library Enumeration, we are going to use the library enumeration feature in ... View

MPO Explorer: Automatically Building a Scoring Profile with Rule Induction

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 ... View

Automatic QSAR Model Building and Validation

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 ... View

R-Group Analysis

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

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

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

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

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

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

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 ... View

R-group Clipping of Reagents for Library Enumeration

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 ... View

Seamless integration between StarDrop and CDD Vault

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

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

Pose Generation Interface

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

Deploying Cerella™ for Active Learning using Deep Learning Imputation

Deploying Cerella™ for Active Learning using Deep Learning Imputation

Recording: 27 October 2020 View

Large Scale Imputation of Drug Discovery Data using Deep Learning

Large Scale Imputation of Drug Discovery Data using Deep Learning

Recording: 26 May 2020 View

Predicting pKa in StarDrop’s ADME QSAR module

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

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

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 ... View

StarDrop’s SeeSAR Pose module

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

Using Deep Learning to Impute Protein Activity

Using Deep Learning to Impute Protein Activity

Recording: 7 February 2019 View

R-group Analysis Video 2

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

R-group Clipping

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

StarDrop™ Data Visualisation Introduction

StarDrop™ Data Visualisation Introduction

This short video gives an overview of StarDrop's rich data visualisation capabilities. The videos in the following series introduce ... View

Copy and Paste From StarDrop

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

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™

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™

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™

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

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™

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™

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™

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™

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™

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™

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 ... View

StarDrop’s Glowing Molecule

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

Importing Your Data into StarDrop

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

Searching eMolecules from StarDrop

Searching eMolecules from StarDrop

This short video illustrates how a seamless link to eMolecules' comprehensive database of commercially available compounds helps to ... View

StarDrop Query Interface

StarDrop 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

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

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

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

Matched Series for SAR Analysis

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 ... 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

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

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

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

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

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

StarDrop Project Files

StarDrop Project Files

StarDrop project files enable you to save all of your data sets, visualisations, scoring profiles and templates in a single file ... View

StarDrop Summary Analysis

StarDrop Summary Analysis

StarDrop's Summary Analysis tool enables you to quickly see trends across the properties in your data sets. Take a look at this quick ... 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

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 ... 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

Matched Molecular Pair Analysis

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

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

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

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

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 ... View

Working with Stacks in StarDrop

Working with Stacks in StarDrop

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 in StarDrop

Working with Cards in StarDrop

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 in StarDrop

Tools for Arranging Cards in StarDrop

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

Card View – Getting Started

This short video provides some hints and tips to help you to get started using Card View®. Card View is a ground-breaking and ... View

Introduction to Card 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

Data Set Filtering in StarDrop

Data Set Filtering in StarDrop

This short movie illustrates how to use the data set filtering tool withing StarDrop to remove compounds with unwanted substructures ... View

R-Group Analysis 3

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

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

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 ... 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

Guiding Selection and Design in Hit-to-Lead

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 in StarDrop

Introduction to data visualisation in StarDrop

This short demo introduces the different types of data visualisations that can be created within StarDrop, including scatter plots, ... View

Building a QSAR Model

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 Module

BIOSTER Module

This short demo introduces StarDrop's BIOSTER module. The BIOSTER module contains a unique compilation of almost 30,000 precedented ... View

Compound Prioritisation and Selection

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 ... View

Automatic Generation of New Chemistry Ideas

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

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

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

Comparing Chemical Series with Probabilistic Scoring in StarDrop

Comparing Chemical Series with Probabilistic Scoring in StarDrop

This example is taken from a project in which screening of a diverse library resulted in hits from multiple chemistries. Without the ... View

StarDrop Probabilistic Scoring

StarDrop 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 in StarDrop

Merging Data Sets in StarDrop

Do you ever have trouble merging new experimental data back in with all the other information you have for your project? StarDrop ... View

Clustering Video

Clustering Video

The clustering tool makes it easy to identify groups of similar compounds within a dataset based on either their structure or ... View

Visti The

Optibrium Community

Access a wealth of information on all of our products, learn more about our science and our wider community of collaborators.