Data Management and Informatics

Data Management and Informatics

ACD/Labs' strengths are our ability to:

  • Manage unified chemical, structural, and analytical data in a homogeneous software environment
  • Generate knowledge from data through advanced algorithmic tools, combine this with human interpretation; and intimately link chemical, structural, and analytical information
  • Enable the storage of 'live' data for efficient mining and reuse

This combination of capabilities makes ACD/Labs the foundation of unified laboratory intelligence (ULI) for companies involved in research and development of chemical entities.

Manage Unified Information

The ACD/Spectrus platform collects raw and processed data from different instruments within and across laboratories, converts heterogeneous data to homogeneous structured data with metadata, and stores unified chemical, structural, and analytical information as 'live' data. This provides chemical content (what) with context (why), which is the foundation for creating unified laboratory intelligence. ACD/Spectrus is complementary with other software tools, including LIMS, ELNs, registries, SMDSs and LES. It does not duplicate their respective capabilities, but delivers unified information management capabilities not available from these tools to add non-redundant value in a complex R&D informatics environment.

Turn Data into Useable Knowledge

Scientists within an organization (synthetic and production chemists, analytical chemists, DMPK experts, etc.) run spectroscopic and chromatographic experiments to answer specific questions. Interpretation of such experimental data creates value and intellectual property. When this data is stored as discrete parcels in different places without interconnected, valuable interpretation information, or if it cannot be easily accessed by other groups, the value to the organization is lost. Management of these discrete data silos created in different parts of the organization is also costly and inefficient.

The Spectrus platform offers a single informatics environment that can homogenize disparate data to offer a collaborative environment where 'live' unified structured data may searched and re-used to help accelerate decision-making.

Create Intelligence

ACD/Labs helps create links between related chemical and analytical experiments, and stores live analytical information with its human interpretation—turning passive information into immediately useful chemical awareness about structures, reactions, mixtures, and schemas. Chemical data (such as predicted physicochemical and ADMET properties; nomenclature; various experimental results; biological data; and metadata) can also be added. This knowledge can be easily accessed, searched, and interrogated by scientists working in different groups or at different sites, to help answer new questions in current and future R&D projects. The burden on those administering these systems to the organization is also alleviated by offering a more streamlined informatics landscape.

Gain Efficiency through Automation

Building on our strengths, ACD/Labs has helped numerous organizations automate and streamline workflows, and interpret and manage data, to make scientists more productive. Our software and services are used to create unique solutions that address the challenges of scientists, meet the requirements of informatics groups, and benefit the organization as a whole. Flexibility allows us to integrate with third-party software to enhance and support existing workflows, or create tailored solutions for more streamlined business informatics systems.

Automation Integration Professional Services Support Matrix