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
Build customized training sets
Subset the data by mechanistically driven structural classifiers
Assess and compare domains of various training sets
Add knowledge - expert’s (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