This model predicts the interaction of a molecule represented by its chemical structure towards 31 targets selected for their utility in broad early hazard assessment.

• Owner:
  Hamza Saeed

ALLIUM (ALL subtype Identification Using Machine learning) is a multimodal classifier of molecular subtypes in pediatric acute lymphoblastic leukemia, using DNA methylation (DNAm) and gene expression (GEX) data

• Owner:
  Mariya Lysenkova Wiklander

Predicts Ames Mutagenicity for a chemical structure using an SVM model with Signatures features via the CPSign modeling tool.

• Owner:
  Ola Spjuth

Service that deploys a CPSign regression model and allows for predictions to be made by the deployed model. The service also comes bundled with an interactive drawing interface that can be accessed using <service-url>/draw where molecules can be drawn...

• Owner:
  Staffan Arvidsson McShane

Conformal regression model for predicting LogD for drug-like molecules, trained on ChEMBL version 33 with over 2.2M compounds using the CPSign software.

• Owner:
  Staffan Arvidsson McShane

This models predicts water–octanol distribution coefficient (logD) for chemical compounds: It is a proxy for the lipophilicity which is a major determinant of drug properties and overall suitability of drug candidates.

• Owner:
  Hamza Saeed