Videos tagged 'StarDrop Modules and Features'
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55:41
AI Synthesis Prediction webinar_capt
Synthesis prediction in drug discovery workflows. Learn more about how AI, machine learning and other computational tools can support the discovery process, bringing you feasible synthetic routes t...
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07:38
Reaction-based Library Enumeration
Reaction-based enumeration method offers you a user-friendly, flexible workflow for virtual library design, starting from a reaction you like to apply to your chosen set of reagents. The method is ...
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01:38
Modules and Features: Predicting pKa
This short video gives an introduction to the model of pKa in StarDrop's ADME QSAR module. This model combines quantum mechanics and machine learning to accurately predict acid dissociation consta...
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01:12
Modules and Features: SeeSAR Pose
This short video gives an introduction to StarDrop's SeeSAR Pose module that generates compound poses for virtual screening and interactive 3D design using FlexX docking. Fast template docking enab...
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01:47
Modules and Features: SeeSAR Affinity
This short video gives an introduction to StarDrop's SeeSAR Affinity module that uses the award-winning HYDE scoring method to analyse your ligand’s binding affinity, related to free energies with ...
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02:15
Modules and Features: SeeSAR View
This short movie gives an introduction to StarDrop's SeeSAR View module, that enables you to visualise your ligands in their protein environment and identify the key interactions driving binding af...
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02:29
Modules and Features: P450 Module
This short movie gives an introduction to StarDrop's P450 module which enables you to quickly identify the regions of your molecules that are most vulnerable to metabolism by the major drug metabol...
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02:47
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03:16
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03:53
Modules and Features: 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 in vitro and in silico data. Using StarDrop's probabilistic s...
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02:46
Introduction to StarDrop
With its comprehensive suite of integrated software, StarDrop delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop enables a seamless flow from...
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01:01
StarDrop's Card View: An Introduction to Analyses
Computational methods such as clustering, matched molecular pair analysis and activity landscapes, analyse complex data and produce valuable information to guide compound optimisation. But, interpr...
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03:17
Matched Series Analysis Introduction
This short movie gives an introduction to Matched Series Analysis in StarDrop
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04:12
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06:11
StarDrop - Auto-Modeller
This video showcases the use of the Auto-Modeller to construct a QSAR model for target affinity based on measured data. The resulting model is then utilized to aid in the creation of a new compound...
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01:46
Introduction to data visualisation
This short demo introduces the different types of data visualisations that can be created within StarDrop, including scatter plots, box plots, histograms, radar charts, SAR tables and pie charts.
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04:46
Redesign to Resolve Metabolic Liabilities
In this demo we look at how it's possible to use the StarDrop P450 metabolism models to guide the design of new analogues around a compound with known metabolic liabilities.
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01:52
BIOSTER
This short demo introduces StarDrop's BIOSTER module. The BIOSTER module contains a unique compilation of over 27,000 precedented bioisostere and bioanalogue transformations that can be used by Nov...
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06:11
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 the design of a new compound using probabilistic scoring to cons...
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03:20
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 in vitro and in silico data. Using StarDrop's probabilistic s...
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03:17
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 of matched molecular series to identify chemical substitutions...
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03:24
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 compounds and data in the context of a drug discovery project.
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02:48
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 between functional groups at different R-Group positions and a c...
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04:12
Library Enumeration
Explore the virtual library design capability as part of StarDrop's Nova module, providing flexible and easy scaffold-based enumeration of a virtual library. As demonstrated in this short video, th...
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01:40
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 compound with predicted toxicity risks using StarDrop's interacti...
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04:17
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 compounds you can see how it is possible to generate new ideas...
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03:57
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 Probabilistic Scoring to intuitively balance the reductions of toxicity...
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04:55
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 know bioactive in order to assess their potential for biologica...
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03:07
Searching eMolecules from StarDrop
This short video illustrates how a seamless link to eMolecules' comprehensive database of commercially available compounds helps to design new, high quality compounds that are synthetically accessi...
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02:00
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 2- and 3-dimensional structure-activity relationships, to guide...
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02:00
Introduction to P450 Module
This short movie gives an introduction to StarDrop's P450 metabolism module which enables you to quickly identify the regions of your molecules that are most vulnerable to metabolism by the major d...
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02:45
Query Interface
This short video illustrates how StarDrop's Query Interface provides a seamless link to your in-house databases, enabling you to create, share and run queries through a user-friendly interface, ret...
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01:40
eMolecules
The eMolecules plug-in for StarDrop enables you to search for commercially available compounds.
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02:47
Pose Generation Interface
A demo of StarDrop's Pose Generation Interface that provides a universal link with platforms for 3D compound docking and alignment. This enables enables users to seamlessly run expertly prepared 3D...