Simulations Plus Releases MedChem Studio™ 3.5 and MedChem Designer™ 2.5

Keywords: ADMET properties, data mining, drug discovery, molecule design
Software: MedChem Designer™
Division: PBPK

Simulations Plus, Inc. (NASDAQ:SLP), a leading provider of simulation and modeling software for pharmaceutical discovery and development, today announced that it has released Version 3.5 of its MedChem Studio™ and Version 2.5 of its MedChem Designer™ software programs for data mining and molecule design.

Dr. David Miller, team leader for Discovery Cheminformatics, said, “MedChem Studio and MedChem Designer have both been improved in a number of ways to further speed up drug discovery by enabling computational and medicinal chemists to rapidly and effectively mine large chemical libraries and to design brand new molecules to hit specified targets and, by tight integration with our best-in-class ADMET Predictor™ program, to have acceptable ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties. While we cannot list every enhancement here, the major new features are:

  • Greatly improved structure depiction that provides crisper, cleaner molecule diagrams
  • Enhanced Matched Molecular Pair (MMP) analyses to compare the effects of small structure changes on a wide variety of properties
  • A new equation solver which enables chemists to calculate new functions that relate multiple properties in user-defined ways
  • Enhanced graphical output that rivals expensive dedicated graphing packages in many respects
  • More powerful and flexible queries to enable scientists to search through large chemical libraries (databases containing huge numbers of molecules) to find molecules that match certain characteristics
  • A new R Group Analyzer™ feature that enables scientists to see how different substituents (small groups of atoms) at specific locations on a scaffold (base structure) affect the properties of the molecules
  • The addition of hot URL inks within the spreadsheet cells to connect to local, intranet, or Internet locations for reference material related to the molecule at hand
  • A completely new software licensing package (FlexNet™ from Flexera Software) that is faster, more flexible, and more convenient to the end user compared to our previous method and is common in the pharmaceutical industry.”

John DiBella, vice president for marketing and sales of Simulations Plus, added, “A significant focus of these versions has been on data mining and analysis, and we believe these new and enhanced capabilities translate across a number of industries. Our highly successful malaria NCE project molecules were designed with the previous versions of our ADMET Design Suite™ (MedChem Studio, MedChem Designer, and ADMET Predictor). Now that we have released ADMET Predictor 6.5, MedChem Studio 3.5, and MedChem Designer 2.5, this powerful combination of software programs is being used in our second NCE project, which we hope to announce shortly. We believe these improvements will help us to continue to expand into new markets, as scientists appreciate the wide variety of powerful features contained in the MedChem Studio platform.”