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How Generative AI is Revolutionizing Drug-Target Interaction Prediction
Generative AI is revolutionizing Drug-Target Interaction (DTI) prediction by automating drug design, improving binding accuracy, and accelerating discovery timelines. It replaces manual, trial-and-error methods with predictive, end-to-end pipelines. While challenges like interpretability and data quality persist, real-world case studies show its promise. GenAI is set to reshape pharma by making drug discovery faster, smarter, and more scalable.
Gokul Rangarajan
3 days ago8 min read


Leveraging Gen AI to Predict ADMET and Prevent Off-Target Toxicity
This blog explores how Gen AI is transforming R&D workflows by improving ADMET predictions, reducing risk, and enhancing decision-making. It highlights Kwapio, an AI-powered platform developed by Pitchworks Gen AI Labs and GCC, which integrates predictive models with project management. The result: faster, more accurate drug development and better collaboration across biotech, CROs, and pharma teams.
Gokul Rangarajan
Jun 259 min read


Gen AI in Drug Optimization: Accelerating Precision in Drug Discovery
Generative AI is transforming drug optimization by accelerating analog design, improving ADMET predictions, and automating synthesis planning. Traditionally taking 12–24 months, this phase can now be shortened by up to 50%, with cost savings of 30–40%. From analog generation to compound prioritization, Gen AI enables faster, smarter decisions—empowering teams and reshaping the future of drug development.
Gokul Rangarajan
Jun 248 min read


From Molecules to Models Part 2: Auto-Generated Docking Reports In Silico Compound Screening
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.
Gokul Rangarajan
Jun 2211 min read


From Molecules to Models: How Gen AI is Transforming In Silico Compound Screening Part 1 : Molecular Docking
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.
Gokul Rangarajan
Jun 2012 min read


How Gen AI Is Compressing Years of Lead Compound Identification Into Weeks
Generative AI is transforming drug discovery by reducing lead compound identification timelines from years to weeks. Platforms like Pitchworks' enable rapid molecule generation, multi-objective optimization (potency, ADMET, feasibility), and real-time feedback through active learning. This human-AI collaboration accelerates R&D, lowers costs, and boosts precision—making drug development faster, smarter, and more scalable than ever before.
Gokul Rangarajan
Jun 179 min read


Designing Drugs from Scratch: How AI could Re-Code Pharma’s Rulebook in the De Novo Molecular Generation
The Molecular Design Canvas is an AI-first interface that helps scientists design new drug molecules faster. It combines 3D visualization, property prediction, and agentic AI suggestions to optimize molecules for safety, efficacy, and synthesizability. With real-time feedback and generative tools, it transforms drug discovery into an intuitive, collaborative, and data-driven experience.
Gokul Rangarajan
Jun 157 min read
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