Computational Drug Safety & PKPD Modeling - software & AI news

Daily news on software, AI, and companies shaping computational drug safety & pkpd modeling.

Showing 29 results
A minimalist representation of a toxic compound and a cell silhouette on a dark background.

Aug 19, 2026

DeepCyte Launches 300,000-Cell AI Toxicity Atlas As Pharma Pilots Advance With 3 Top-20 Drugmakers

DeepCyte has introduced DeeTox Atlas, a groundbreaking single-cell metabolomic reference atlas aimed at enhancing the early prediction of drug toxicity mechanisms for pharmaceutical companies.This innovative platform is reportedly the first of its kind, built from extensive studies involving around 100 toxic compounds and 300,000 individual cells. The dataset provides detailed insights, capturing approximately 500 metabolites per cell and over 3,000 measurements per compound across multiple biol
Press release cover image

Aug 17, 2026

Beyond Virtual Cells: DeepoMe and The Future Laboratory at Tsinghua University Advance Human Response Intelligence with SteeraMed Bench

Virtual patients move AI beyond early discovery—toward the clinical decisions where drug-development value is won or lostBEIJING,China — DeepoMe and The Future Laboratory at Tsinghua University todayannounced the release of a joint preprint, “Toward a Self-Learning AI Agentfor Drug Repurposing: Building Human-Scale Representations for VirtualPatients.” The work explores a critically under-modeled frontier in AI forscience: human-scale modeling—the representations needed to reason abouthow human
Minimalist illustration of a chemical structure and test tube on a dark background

Jun 30, 2026

Inductive Bio joins Anthropic's Connector Ecosystem for Life Sciences, Surfacing State-of-the-Art ADMET Prediction to Drug Discovery Scientists through Claude

Inductive Bio has integrated its advanced ADMET prediction models into Anthropic's Claude ecosystem, enhancing the capabilities available to drug discovery scientists.On June 30, 2026, Inductive Bio announced its partnership with Anthropic, enabling their ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) prediction models to be accessed directly through Claude. This integration allows scientists to leverage these predictive models seamlessly within their existing workflows, f
A close-up of a drug compound in a glass vial on a lab table with shelves of reagents in the background.

May 9, 2026

NVIDIA Pushes AI Into Drug Development With Simulations Plus Collaboration

NVIDIA is advancing its influence in drug development through a new partnership with Simulations Plus, leveraging GPU acceleration and AI-assisted workflows.This collaboration aims to enhance complex modeling and simulation tasks critical for early-stage drug discovery and development. By integrating NVIDIA's powerful GPUs into the drug research process, the partnership seeks to improve efficiencies in quantitative systems pharmacology and physiologically based pharmacokinetics. This strategic m
A test tube with a colorful chemical compound in a dimly lit lab setting.

Apr 30, 2026

AI in Predictive Toxicology Research Report 2026 Featuring

The AI in predictive toxicology market is set for significant growth, projected to escalate from $0.83 billion in 2026 to $2.29 billion by 2030, reflecting a remarkable CAGR of 28.9%.This expansion is largely fueled by the increasing adoption of AI-based predictive models, cloud platforms, and the integration of genomics with chemical data. Collaborations between pharmaceutical and biotech firms are also driving demand for quicker chemical safety assessments, particularly in the context of risin