SMAG Powerd Precise ADMET Modelling with High-Performance CYP Substrate Predictors

CHAPEL HILL, N.C. - June 24, 2025 - PRLog -- SMAG, a leading AI-powered drug discovery platform, has launched a new in-silico CYP450 substrate prediction model that improves the accuracy and speed of early-stage drug metabolism analysis. Trained on top-tier datasets, including ChEMBL, DrugBank, and PubChem, the model empowers pharma and biotech innovators to make faster and safer decisions in drug development.

Next-Gen Accuracy for Drug Metabolism Insight

The newly enhanced model predicts substrate interactions for CYP3A4, CYP2D6, CYP2C9, and CYP1A2, key enzymes involved in drug metabolism and clearance. Accuracy scores significantly surpass existing state-of-the-art (SOTA) models:

Enzyme   SOTA1   SOTA2   SMAG Model

CYP3A4   64.00   60.00   83.00 ✅

CYP2D6   70.97   75.70   87.90 ✅

CYP2C9   81.63   68.37   91.84 ✅

CYP1A2   88.84   74.03   90.43 ✅

"We built this to give drug developers a serious edge," said Kamlesh Patel, CEO of SMAG. "With superior predictive power, no SMILES limitations, and a fast, user-friendly interface, our CYP model is ideal for both startups and large R&D pipelines."

Key Features:

• 🚀 Trained on trusted databases: ChEMBL, DrugBank, PubChem
  
  
• 🔓 No SMILES format limitations — broad molecular input accepted
  
  
• ⚡ Fast, scalable, and intuitive interface
  
  
• 🔬 Ideal for high-throughput drug screening
  
  

Built for the Next Generation of Drug Discovery

SMAG's model is part of a broader AI-driven ADMET prediction suite, designed to support:

• Biotech startups with novel molecules
  
  
• Academic teams commercialising IP
  
  
• Pharmaceutical innovation units
  
  
• Accelerators and incubators in life sciences
  
  

Enabling Smarter Decisions, Earlier in the Pipeline

With early, high-accuracy CYP450 predictions, SMAG empowers teams to prioritise the most promising compounds with greater confidence, improving decision-making at critical stages of discovery and preclinical development. Whether it's derisking a candidate or optimising lead selection, SMAG delivers clarity when it matters most.

Discover More with SMAG

To learn how SMAG is accelerating drug discovery through AI-powered innovation,

Visit us at 🌐 https://smag-ai.com

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About SMAG
SMAG is an integrated AI drug discovery company transforming molecule design and screening through machine learning. Its cloud-based platform delivers rapid, accurate insights into bioactivity, metabolism, and toxicity, making drug discovery faster, smarter, and more accessible than ever