Simulations Plus Releases ADMET Predictor® (X.3)

Keywords: AIDD, APX.3, CYP Enzymes, CYP metabolism, PBPK modeling
Software: ADMET Predictor®, MedChem Studio™
Division: Simulations Plus

New capabilities further solidify ADMET Predictor’s position as the preferred platform for ADMET modeling and AI-driven compound optimization

LANCASTER, Calif.–(BUSINESS WIRE)–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 10.3 of its flagship machine learning modeling platform, ADMET Predictor®. The new release will be marketed as APX.3.

Key enhancements in APX.3 include:

  • New capabilities in the Artificial Intelligence-driven Drug Design (AIDD) Module to incorporate calculations from any third-party program for use in compound optimization expanding client’s existing toolbox
  • Major update to CYP metabolism models with a new knowledgebase that significantly expands the addressable chemical coverage space
  • Access to MedChem Studio™ extended to all users to provide high-quality data visualization, compound clustering, and high throughput screening analysis functionality to enhance data analytics capabilities for general use
  • New REST API for deployment via Web services

Dr. David Miller, vice president of ADMET Cheminformatics, said: “APX.3 enhances the already industry-leading capabilities within the ADMET Predictor AIDD Module and establishes the program as the premier environment for AI-driven drug discovery. Leveraging the outputs from third-party programs, such as those from 3D molecular docking applications or advanced statistical packages such as R, complements the novel physiologically based pharmacokinetic (PBPK) modeling methods embedded within the module and unlocks the completely unique ability to optimize molecules based on combinations of activity and systemic exposure. This differentiates ADMET Predictor from other companies and opens new doors for the AI-driven drug design community.”

Dr. Eric Jamois, director for key accounts and strategic alliances, added: “Major themes for this release include ‘knowledge expansion’ and ‘easy access.’ By providing extended data analysis capabilities to our users through the now free MedChem Studio Module and developing the REST API deployment option, we expect to grow our user base across the computational chemistry, medicinal chemistry, and DMPK departments. Also, the expansion of our metabolism databases means we now cover a wider chemical space with our machine learning predictions for CYP enzymes, which we expect will help solidify the position of ADMET Predictor as the preferred ADMET modeling platform and maintain its double-digit revenue growth course as we head into our 2022 fiscal year.”

Watch this short video to learn more on the advancements of APX.3.