Simulations Plus, Inc. (“Simulations Plus”), a leading provider of cheminformatics, biosimulation, simulation-enabled performance and intelligence solutions, and medical communications to the biopharma industry, announced the release of ADMET Predictor® 13, its flagship machine learning (ML) modeling platform for the design, optimization, and selection of new molecules during various stages of drug discovery.
ADMET Predictor 13 features advancements in three main areas:
- First-to-invent advantage : clients can harness enhanced high-throughput PBPK (HT-PBPK) simulations—powered by GastroPlus®—combined with the upgraded AI-driven drug design (AIDD) engine to enable faster, smarter decision-making at the intersection of chemistry and pharmacokinetics.
- Elevated predictive power : ADMET Predictor 13 offers an expanded suite of next-gen ADMET models, built with updated AI science and premium datasets, which boost accuracy across key endpoints and reinforce scientific rigor and validation.
- Enterprise-ready automation : with extended APIs, Python scripting support, and IT-friendly deployment capabilities, ADMET Predictor 13 delivers the automation and scalability required by today’s data-centric R&D teams.
“ADMET Predictor has long been the standard for discovery modeling platforms in the pharmaceutical space,” said David Miller, Vice President of Cheminformatics of Simulations Plus. “Before artificial intelligence and machine learning became industry buzzwords, ADMET Predictor was already leveraging these technologies to help our clients design and optimize new compounds. By tightly integrating mechanistic simulation with AI/ML and wrapping it in a powerful, customizable software platform that can be seamlessly deployed into existing workflows, we are now making predictions more accurate and easier to access for our clients around the world.”
