StarDrop Modules


Build and validate robust QSAR models tailored to your chemistry and data

This module gives both novice and expert users 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.

Auto- Modeller StarDrop module cover

Predictive Models

Even if you are not an expert in modelling you can:

  • Automatically generate predictive models
  • Use multiple advanced modelling techniques, including Gaussian Processes, Random Forests, Radial Basis Functions, PLS and Decision Trees
  • Train, test and validate: automatically split your data into sub-sets to rigorously choose and validate the best model
  • Use a suite of built-in descriptors; MWt, logP, polar surface area and many other 2D structural descriptors are included with the Auto-Modeller

As an expert user you can also manually tune modelling methods, define your own data set splits and descriptors and access detailed analyses of the results.

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.

The Auto-Modeller is available as an optional module for StarDrop. To trial StarDrop please complete the form and a member of the team will get in touch to understand your needs and get you set-up with a licence that works best for you.


Plug-in Modules

StarDrop's™ core features can be extended with a comprehensive range of optional plug-in modules; predictive models for ADME properties, Phase I and II metabolic routes and toxicity; automatic QSAR model building; 3D SAR analysis; and de novo design to stimulate the search for new optimisation strategies.


Quickly identify metabolic pathways, potential metabolites and guide compound design to avoid metabolic liabilities.

Derek Nexus

Knowledge-based prediction of over 40 toxicity endpoints


High quality predictive QSAR models of key ADME properties


Build and validate robust QSAR models tailored to your chemistry and data


Generate & prioritise new, relevant compound ideas


A world of chemistry experience


Inspyra™ combines your expert chemistry knowledge and the exploratory power of generative methods to help you identify optimal compounds faster.

Surflex eSim3D

3D ligand-based design – understand binding conformations to identify and optimise novel active compounds


3D Structure-based design

MPO Explorer

Develop multi-parameter optimisation strategies