Lead Optimization, Drug Development and Formulation

Scientists in the pharmaceutical industry face a wide range of challenges, from small molecule drug discovery to process optimization. The COSMO-RS  thermodynamic properties such as solubilities and partition coefficients have proven to be valuable and robust tools for applications ranging from drug design to drug development.
High-accuracy predictions of thermodynamic properties are possible with BIOVIA COSMOtherm. Combination with BIOVIA COSMOquick allows for use in high-throughput projects. BIOVIA COSMOsim3D and BIOVIA COSMOsar3D are robust tools for automatic and unsupervised molecular field-based alignment and 3D-QSAR, employing unique quantum chemistry-based descriptors.


  • Very broad range of applications, properties and solutions in Pharmaceutical Development and Formulation.
  • Scientific foundation combining quantum chemistry and thermodynamics.
  • Solutions are reliable and predictive into new unknown areas.