Experimentally investigating the irritation, toxicity, and physicochemical properties of novel chemicals is time-consuming and expensive. Avoid weeks of work in the laboratory and expensive animal testing by using predictive software to rapidly determine the properties of natural and synthetic compounds. ACD/Labs offers a state-of-the-art prediction platform to investigate chemical structures at the click of a button.

• Identify hazardous substructures potentially responsible for toxic effects
• Save hundreds of hours of unnecessary biological assays
• Use reliability index and similar structures to assess confidence in the predicted result

Do you need to identify unknown compounds from complex mixtures? Our software allows you to dereplicate and verify chemical structures quickly from analytical data. ACD/Labs is a world leader in structure elucidation and verification software, so you can identify formula components with confidence.

• Determine chemical identity from mass spectroscopy and NMR data
• Performde novo elucidation for complex unknown structures
• Automatically sort and filter the best structure candidates based on structure/spectrum fit

Using spreadsheets such as Microsoft Excel and Google Sheets to manage complex product lifecycle operations leads to significant risks in highly distributed, data-driven environments. General-purpose programs do not understand chemical or analytical data, so scientists need to develop workarounds to visualize their experimental results.

Upgrade your development process by bringing together all your data in one software interface. Accelerate decision making, improve data integrity, and simplify regulatory submissions with a chemistry manufacturing and control (CMC) decision support tool.

• Assemble degradation maps that cover complete forced degradation studies
• Accelerate formulation by integrating analytical and process data in one place
• Track batch genealogy using a supply chain data management tool to attach analytical data to each batch