AI-Powered Chemical Data Structuring – Transforming Unstructured Chemistry Data into AI-Ready Datasets
What is SmartChemistry® Curation?
SmartChemistry® Curation is an advanced AI-driven platform that converts unstructured chemical data (such as reports from CROs, CDMOs, and ELNs) into structured, machine-readable formats. It enables seamless integration of chemical reaction data for machine learning (ML), automation, and artificial intelligence (AI) applications.
Experience Unparalleled Performance & Benefits
🔹 Transforms legacy reports into AI-ready datasets
🔹 Enables robot-executed experiments and automated workflows
🔹 Unlocks valuable insights from historical data
🔹 Processes a recipe in just three minutes
🔹 Trusted by industry-leading corporations
How it works
SmartChemistry® Curation leverages cutting-edge AI and cheminformatics tools to process large volumes of data. Its multi-step workflow:
Breaks down reaction descriptions into atomic steps
Extracts key elements: chemicals, conditions (temperature, pressure, time), equipment, and metadata
Parses molecular structures from ChemDraw® schemes
Converts data into structured formats like XML, JSON, or databases
Optimizes for ML, AI, and automation-ready workflows
Why Choose SmartChemistry® Curation?
Traditional chemistry data is often inconsistent, inaccessible, and unstructured, making it unsuitable for AI-driven analysis.
SmartChemistry® Curation solves this by:
Standardizing inconsistent data formats
Extracting key chemical entities and experimental parameters
Parsing molecular structures and reaction steps from text and images
Ensuring data integrity with multi-layered cross-validation
With over 90% accuracy and the ability to process millions of records in minutes, SmartChemistry® Curation revolutionizes how chemistry data is structured and utilized.
Why ChemCuration Outperforms Traditional NLP Tools
Unlike generic NLP solutions, ChemCuration:
Accurately resolves molecular representations (SMILES, InChI, etc.)
Interprets complex and inconsistent chemical notations
Processes reaction schemes with high precision
With SmartChemistry® Curation, chemical R&D organizations can fully harness their experimental data, paving the way for AI-driven discovery, automation, and innovation.