On chemical structures, substances, nanomaterials and measurements
Chemical similarity
ISA-TAB and ISA-TAB-Nano overview
Chemical Landscape Analysis – the case of tautomers
ALGORITHMS FOR AUTOMATIC TAUTOMER GENERATION AND THEIR APPLICATIONS
Reaction Representation and Structure Transformation with Ambit-SMIRKS.
EuroQSAR2012: BIOCLIPSE-OPENTOX: Interactive Predictive Toxicology
TOXTREE: TOXIC HAZARD ESTIMATION BY A DECISION TREE APPROACH
Hierarchical multi-label classification of ToxCast datasets
Linking the silos. Data and predictive models integration in toxicology.
Seamless and uniform access to chemical data and tools experience gained in developing the open tox framework
AMBIT RESTful web services: an implementation of the OpenTox application programming interface