This blog explores how Docking Reports are generated during in silico compound screening—who uses them, when they’re needed, and why they’re critical. It covers the shift from manual workflows to Gen AI-powered automation, detailing how Agentic AI handles parsing, summarizing, and visualizing results. By integrating with tools like AutoDock and Glide, it ensures fast, compliant, and explainable report generation.

In silico screening powered by Gen AI is transforming drug discovery by enabling rapid, cost-effective analysis of millions of compounds. Tools like Pitchworks’ Conversational Docking Assistant (CDA) streamline docking workflows, automate reporting, and enhance interpretability. With secure, compliant infrastructure, CDA reduces analysis time by 70%, supports HIPAA/FDA standards, and accelerates early-stage decision-making in pharma and biotech.