Build training sets and assess training set domains

View Demonstration

Description

Data mining, building and applying predictive models

Prediction Features

• Find hidden relationships between biology and chemistry
• Store and manage knowledge

Data Mining Features

• 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
• OECD guideline compliant

Client Requirements

• Windows 2000 or XP
• minimum Pentium III 700MHz processor
• 512 MB RAM
• 1 GB disk space