CAS BioFinder®

AI for drug discovery research, built on drug discovery data

Drug discovery data is becoming more complex, making it harder for researchers to find the insights they need. CAS BioFinder combines the power of CAS-curated scientific content with advanced AI capabilities to give drug discovery researchers deeper insights faster. From complex biology questions to predictive bioactivity models and detailed evidence summaries, move from exploration to understanding with unprecedented speed and confidence.

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Turn complex research questions into clear, actionable insights

The CAS Newton℠ AI assistant, embedded in CAS BioFinder, transforms how scientists explore drug discovery questions. Instead of manually stitching together data across publications, patents, and search results, CAS Newton acts as a deep research agent offering insights from the world’s human-curated scientific data.

Ask a complex scientific question in plain language and instantly receive concise, evidence-backed summaries. Each response links directly to curated sources, making it easy to verify insights or dive deeper into the underlying content and analysis capabilities. Then ask follow-up questions to rapidly explore mechanisms, relationships, pathways, or market activity without sacrificing scientific rigor.

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"For a structural biology–driven drug discovery lab like ours, CAS Newton effectively becomes a highly sophisticated medicinal chemistry partner. It empowers researchers—especially those without deep chemistry training—to navigate complex design challenges with confidence, integrating biological insight with chemical intelligence in a seamless, conversational way. This capability can dramatically accelerate our efforts against diseases such as malaria and arboviral infections."
Glaucius Oliva
Professor Senior
Universidade de São Paulo
Instituto de Física de São Carlos

Rapidly prioritize compounds using evidence-backed predictions

CAS BioFinder includes powerful predictive analytics capabilities that help you uncover potential protein targets, off-target effects, or polypharmacology even when no experimental data exists in the literature for your compound.

Upload an SDF of novel molecules or choose ligands from search results to predict safety risks using up to five AI affinity estimate models. Each prediction includes a transparent confidence score and substantiation links that show how the model arrived at its output.

The resulting dataset is fully filterable and downloadable for downstream analysis.

Cut through complexity with AI-driven evidence summaries

AI-powered summaries in CAS BioFinder highlight key insights from curated data about diseases and biomarkers.

AI Drug Intelligence Summarizations provide important disease mechanisms, therapeutic activity, and landscape trends at a glance, while AI-generated biomarker table summaries consolidate complex associations with clickable links for deeper exploration.

This AI-driven drug discovery helps you quickly find most relevant evidence and refine your research path with confidence.

Dive in to CAS Newton and empower your research with science-smart AI.

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