Simulations Plus (SLP) Releases MedChem Studio 2.0

Keywords: data mining, de novo molecule design, in silico molecule design, molecule drawing tool
Software: MedChem Studio™
Division: PBPK

Simulations Plus, Inc. (NASDAQ: SLP), a leading provider of simulation and modeling software for pharmaceutical discovery and development, announced today the release of MedChem Studio™ version 2.0 with an impressive set of expanded and powerful capabilities for data mining and de novo molecule design.

MedChem Studio 2.0 now includes:

  • Our new MedChem Designer™ advanced molecule drawing tool
  • Greatly expanded multidimensional graphics output
  • Enhanced import capabilities for molecular structure files
  • Enhanced capabilities for exporting results
  • Additional improvements to our industry-best structure depictions

Dr. David Miller, team leader for discovery cheminformatics at Simulations Plus, said, “MedChem Studio has been evolving for more than five and a half years, beginning as ClassPharmer™ for data mining, but steadily growing in sophistication and power for both data mining and new molecule design. We’ve accomplished this while maintaining both a friendly graphical user interface for focused studies as well as sophisticated algorithms for automatic processing of large structure libraries. The program’s tight integration with our best-in-class ADMET Predictor™ software provides what we believe is the most powerful in silico molecule design capability available today.”

Walt Woltosz, chairman and chief executive officer of Simulations Plus, added: “We’re excited about the power of this new MedChem Studio/MedChem Designer product, especially when combined with ADMET Predictor. Medicinal chemists throughout the industry are learning more and more to think in terms of multidimensional optimization of molecular structures, rather than focusing only on the strength with which the molecule binds to the target protein. With the MedChem Studio/MedChem Designer/ADMET Predictor combination, chemists now have an unprecedented capability to see how changes in molecular structures affect not just one or a handful of properties, but over 120 properties from the industry’s top-ranked property prediction program, ADMET Predictor. We believe that this represents the future for drug discovery – no other technology offers as much potential for reducing the time and money required to discover new structures that can become tomorrow’s medicines.”