Discover 10 recent ACS journal articles that examine how AI tools are driving applied research and innovation in industry settings.

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Scientific research has entered an unprecedented era where AI tools are transforming and accelerating innovations across fields and disciplines. While academic researchers continue to explore the theoretical and experimental potentials of AI applications, a growing number of AI tools have been deployed in commercial settings to drive real-world innovation and business impact. 

In recent years, countless articles exploring AI applications have been published across ACS journals. With the breadth and depth of ACS journals’ scope, readers can gain insights not only into emerging AI technologies, but also into their real-world industry applications and impact, helping deepen their understanding of AI-driven opportunities and challenges.

This article highlights 10 research papers published within the past 12 months by industry professionals. By sharing their experiences and perspectives, we hope to inspire new ideas, spark innovation, and support the advancement of AI applications in your own work.

AI Tools in ACS Journals

CANDID-CNS: AI Unlocks Stereochemistry and Beyond Rule of 5 to Predict CNS Penetration of Small Molecules

Modernizing Preclinical Drug Development: The Role of New Approach Methodologies

AI-MedCraft: A Strategy-Driven AI Platform for Multi-Objective Molecular Design

Atomic Precision in Personalized Oncology: AI-Designed Nanomedicines Enabling N-of-1 Cancer Therapy

DPDispatcher: Scalable HPC Task Scheduling for AI-Driven Science

Toward Lab-Ready AI Synthesis Plans with Protection Strategies and Route Scoring

AI Drug Discovery: Expanding the Horizons of Infectious Disease Therapeutics

WeMol: A Cloud-Based and Zero-Code Platform for AI-Driven Molecular Design and Simulation

Accelerating AOP Development in the AOP-Wiki with AI: A Practical Road Map for the Community

QSAR in the AI Era: Reflections for Advancing Chemical Safety Assessment

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