StarDrop Plug-in Modules

Select from a range of optional plug-in modules

StarDrop's core features can be extended with a wide range of optional plug-in modules that provide comprehensive capabilities for compound optimisation, including: Predictive models for ADME properties, P450 metabolism and toxicity; automatic QSAR model building; 3D structure-activity relationships; and de novo design to stimulate the search for new optimisation strategies.

ADME QSAR

Predict key ADME and physicochemical properties prior to synthesis

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

Analyse data and produce predictive models

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.

Nova

Automatic generation of chemistry 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 28,000 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

P450

Quantum mechanical simulation of drug metabolism

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 toxicity prediction

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.

torch3D

Understand and apply 3D SAR

StarDrop's torch3D module, using Cresset's molecular Field technology, provides a unique, 3-dimensional (3D) insight into the biological activity, properties and interactions of your compounds, helping to guide the design of novel, potent compounds with a high chance of success.

SeeSAR

3D Structure-based design

The SeeSAR module, developed in collaboration with BioSolveIT provides a state-of-the-art and scientifically rigorous approach to understanding the 3-dimensional (3D) binding of compounds to their protein targets.

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 compound
  • 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
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