Titanium adverse event models help you anticipate adverse events you will encounter in clinical trials, minimizing project failures

 Pharmatrope Titanium^TM models are based on human data gathered by the United States Food and Drug Administration (FDA) under its Adverse Events Reporting System (AERS). The AERS is a collection of over 80 million adverse events reported over the last decade.  Titanium uses a proven fragment-based approach to model connections between drugs and adverse events based on chemical substructures contained in each drug. The resultant models predict adverse events of your drugs based on fragment fingerprints.

Iron protein-ligand free energy computation software provides accuracies comparable to published free energy perturbation (FEP) calculations, but obtaining these results is easier than using docking programs. Iron computes both the enthalpy and the elusive entropy of interaction, providing a better estimate of ligand-protein binding than enthalpy alone.