Leadscope Predictive Data Miner

Leadscope Predictive Data Miner

Build training sets and assess training set domains


The Leadscope Predictive Data Miner is an application module available for Leadscope Enterprise, Hosted or Personal. With this module installed, you have access to a complete chemical predictive modeling tool


  • Find hidden relationships between biology and chemistry
  • Store and manage knowledge
  • Add chemical structures to an existing model
  • Build customized training sets
  • Subset the data by mechanistically driven structural classifiers
  • Assess and compare domains of various training sets
  • Add knowledge - either expert (alerts) or software learned rules
  • Select descriptors from structural features and/or calculated properties
  • Select method from PLS and PLR (partial logistic regression)
  • Analyze the model domain when applying models to new structures
  • OECD guideline compliant


  • Windows 7,8,10
  • minimum 1 GHz processor
  • minimum 1 GB RAM
  • minimum 10 GB disk space