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
eSim3D

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
eSim3D

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

    eSim3D

    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

    INTERESTED?

    Try 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.