StarDrop Modules
Select from a range of optional plug-in modules
StarDrop’s core features can be extended with a comprehensive range of optional plug-in modules; predictive models for ADME properties; P450 metabolism and toxicity; automatic QSAR model building; 3D SAR analysis; and de novo design to stimulate the search for new optimisation strategies.
StarDrop Modules
In silico Modelling
ADME QSAR
High quality predictive QSAR models of key ADME properties
Auto-Modeller
Build and validate robust QSAR models tailored to your chemistry and data
P450
Predict metabolic routes, sites, products and lability
Derek Nexus
Knowledge-based prediction of over 40 toxicity endpoints
De novo Design
Nova
Generate and prioritise new, relevant compound ideas
BIOSTER
A world of chemistry experience
Inspyra
Guide generative methods to optimise your compounds
Linking 2D and 3D SAR and Design
Surflex eSim3D
3D ligand-based design
SeeSAR
3D Structure-based design
MPO Strategy
MPO Explorer
Develop multi-parameter optimisation strategies using patented rule induction and sensitivity analysis methods
ADME QSAR
High quality predictive QSAR models of key ADME properties
Before committing resources to in vivo and in vitro studies, it’s vital to know you’re working with the best molecules. StarDrop is built to help you predict a wide range of ADME and physiochemical properties in silico, allowing you to explore all of your options and giving you confidence in your decisions.
Auto-Modeller
Build and validate robust QSAR models tailored to your chemistry and data
This module gives novice and expert users alike access to the tools needed to produce validated, predictive models. Output from the Auto-Modeller includes Glowing Molecule results that help to visualise the structure-activity relationships captured from your chemistry and data.
P450
Predict metabolic routes, sites, products and lability
Using StarDrop’s P450 metabolism models you can quickly identify the regions of your compounds that are most vulnerable to metabolism by the major drug metabolising isoforms of cytochrome P450 and predict the metabolites formed.
Derek Nexus
Knowledge-based prediction of over 40 toxicity endpoints
StarDrop’s Derek Nexus module provides Lhasa Limited’s world-leading technology for knowledge-based prediction of key toxicities, helping to guide the design of safe and efficacious drugs in hit-to-lead and lead-optimisation.
Nova
Generate and prioritise new, relevant compound ideas
Generate and prioritise new compounds ideas to stimulate the search for compound optimisation strategies for your project:
- Rigorously explore the chemistry around hits
- Discover lead-hopping opportunities
- Identify substitutions likely to improve target activity
- Fully enumerate new library designs
- Find patent-busting possibilities
Bioster
A world of chemistry experience
An optional extension to the Nova modules, providing over 27,000 structure modifications and replacement techniques that have been used in analogue design:
- Identify transformations previously applied to compounds similar to yours
- Literature references allow quick follow-up of chemistry and biological data
- Explore diverse compound optimisation strategies
- Quickly identify patent protection/busting strategies
Inspyra
Guide generative methods to optimise your compounds
Harnesses your expert chemistry knowledge and the exploratory power of generative methods to design optimal compounds faster.
As you work, Inspyra continuously generates new compound ideas in the background while learning from your interactions. Your responses to the ideas proposed by Inspyra guide the generative chemistry methods to explore the most relevant chemistry spaces and suggest optimisation strategies that are most likely to succeed in your projects.
Surflex eSim3D
3D ligand-based design – understand binding conformations to identify and optimise novel active compounds
Surflex eSim3D supports your 3D ligand-based design efforts, providing intuitive workflows to:
Enable 3D design, even with little or no target structure information
Find novel active compounds with 3D virtual screening against known actives
Understand 3D SAR with industry-leading pose prediction
Generate binding mode hypotheses by alignment of multiple known actives
Complement structure-based design approaches with a ligand-centred perspective
SeeSAR
3D Structure-based design
SeeSAR, developed in collaboration with BioSolveIT, is a suite of three modules which seamlessly interact to enable you to easily visualise ligand and protein structures, identify key interactions driving binding affinity and link the design of new compounds in two and three dimensions.
MPO Explorer
Develop multi-parameter optimisation strategies
This module provides novel, patented methods to guide ‘strategic’ decisions for your discovery projects.
Find multi-parameter scoring profiles, based on historic data, to optimally select successful compounds
Identify the most important data with which to distinguish successful compounds and focus experimental resources
Test the robustness of your decisions to the selection criteria you have chosen
StarDrop™ Modules
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Discover 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 the latest data through predictive modelling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process.