CPSign Documentation¶
CPSign is a tool for modeling in cheminformatics using Conformal Prediction (CP) with the Signatures molecular descriptor and Support Vector Machines (SVM).
Table of Contents¶
- Key features overview
- Conformal Prediction Background
- System requirements
- Obtaining a license
- Using CPSign from command line
- Precompute
- Train
- Aggregate
- Fast-aggregate
- Predict
- Online-predict
- Tune
- Crossvalidate
- Validate
- Gensign
- Check-version
- Check-license
- Get usage help
- Giving multiple arguments for a single parameter
- Fuzzy-matching and case-insensitive arguments
- Use a configuration file
- Get jar version
- Program aliases
- Shorten CLI calls
- Configure Logging & Output
- Using a license file
- Selecting predictor type
- Selecting modeling implementation
- Signature heights
- Modeling endpoint
- Classification labels
- Encryption
- “Three-factor” Encryption
- Generating model jars
- Progress bar
- Exit status codes
- Application Programming Interface
- Image rendering
- Input formats in CPSign
- Securing your data
- References