Simulations Plus Releases ADMET Predictor® (X.2)

Keywords: admet predictor, APX.2, HTPK simulation module, machine learning
Software: ADMET Predictor®
Division: Simulations Plus

Simulations Plus, Inc. (Nasdaq: SLP), a leading provider of modeling and simulation solutions for the pharmaceutical, biotechnology, chemical, and consumer goods industries, today announced that it has released version 10.2 of its flagship machine learning modeling platform, ADMET Predictor®. The new release will be marketed as APX.2.

Key enhancements in APX.2 include:

  • New capabilities in the High Throughput Pharmacokinetic (HTPK) Simulation Module which integrates machine learning and physiologically based pharmacokinetic (PBPK) technologies to guide lead selection
    • New intravenous (IV) bolus route of administration to complement oral dosing options
    • Multi-dosing for more complex administration regimens
    • Plasma concentration versus time curve overlay for easy comparison across compounds
    • Additional options for dose optimization to support universal safety and efficacy definitions
    • Dose optimization available through the MedChem Designer™ interface for real-time evaluation
  • Enhanced mutagenic risk rules which improve accuracy for the standard Ames mutagenicity assay
  • Extended software parallelization to significantly improve performance for cheminformatic tasks
  • Upgraded command line options to automate common applications of the software
  • Improved user experience with added options to customize spreadsheet displays

Dr. David Miller, vice president of ADMET cheminformatics, said: “APX.2 enhances the industry-leading discovery PBPK modeling capabilities within ADMET Predictor and cements the program as the premier environment for ADMET property prediction modeling. The R&D collaborations with our large pharmaceutical partner established the functionality requirements in the HTPK Simulation Module necessary to bridge communication between discovery and early development, and the new options for implementation provide the flexibility needed to fit almost any company’s internal workflow processes.”

“With capabilities to perform time-dependent mechanistic PK simulations at the rate of over 100 compounds per second, the exploratory nature of our discovery PBPK platform takes on its full meaning as it is deployed in pharmaceutical and biotechnology companies worldwide,” added Dr. Eric Jamois, director for key accounts and strategic alliances. “The accelerated growth in the ADMET Predictor product line revenue in 2QFY21 reflects this increased adoption, and we look forward to the positive momentum continuing as APX.2 is rolled out to the global user community.”