Simulations Plus Launches MedChem Studio

Keywords: cheminformatics, drug discovery, molecular design, molecular property prediction software
Software: MedChem Studio™
Division: Simulations Plus

Simulations Plus, Inc. (NASDAQ:SLP – News), a leading provider of simulation and modeling software for pharmaceutical discovery and development, has announced the launch of its MedChem Studio™ software for drug discovery.

Dr. David Miller, team leader for Discovery Cheminformatics at Simulations Plus, said, “MedChem Studio is the result of a continuous evolution of our ClassPharmer™ software, with new capabilities added that have taken it beyond the pure data mining tool that ClassPharmer was and transformed it into a platform that combines data mining and, when integrated with ADMET Predictor™, powerful new molecule design capabilities. The name has been changed to reflect the much-expanded capabilities of this powerful software.”

MedChem Studio Version 1.0 incorporates:

  • The powerful class generation capabilities of earlier ClassPharmer versions
  • A variety of intelligent algorithms for rapid generation of new molecular structures
  • Convenient integration with ADMET Predictor™ 5.0 for best-in-class property predictions
  • Numerous new graphical presentations that provide greater insight into data

Walt Woltosz, chairman and chief executive officer of Simulations Plus, added: “Medicinal chemists have a very challenging job – so challenging that many spend their entire careers without ever creating a successful drug. The high failure rate of molecules that were designed only for binding to a particular target (“activity”), but that did not also have all of the many other properties needed to become approved drugs, has been largely a result of the traditional approach of focusing on activity while ignoring many other required properties. This has primarily been because chemists were not able to monitor how the other properties were changing as they sought better activity. Now, with MedChem Studio and ADMET Predictor, chemists can ‘see’ the effects of modifying molecular structures not only on activity, but also on many additional key properties, enabling them to modify a structure to simultaneously optimize activity and other properties. MedChem Studio combined with ADMET Predictor helps chemists design new molecules with a multidimensional view of the many properties that are required for a molecule to become a drug. We believe this represents the next-generation approach to molecule design.”