Streamline capture, analysis and reporting of scientific information, registration and screening to enhance collaboration, accelerate decisions and improve the
efficiency of key research processes


The Accelrys Cheminformatics Suite

The Accelrys Cheminformatics Suite is a set of applications, built upon or integrated with the BIOVIA Foundation, that let you register, search, mine and analyze information on chemical structures and reactions, chemically modified sequences and associated data such as inventory, assay and analytical results. Key applications in the suite include Pipeline Pilot and Accelrys Insight (a full product list is below).

The Cheminformatics Suite enables:

Scientific Entity Registration

In conjunction with an enterprise lab notebook (ELN), the registration application allows organizations to capture and secure their intellectual property around their molecules and biologics, allowing each entity to be uniquely identified and, in conjunction with an inventory system, allows each sample or lot of that entity to be managed. The system thereby minimizes the risks associated with not securing IP and improves efficiency and lowers cost associated with the unnecessary duplication of production of any entity. It enables traceability for regulatory compliance and accelerates reporting.

Scientific Data Access

The applications allow scientific data to be accessed in real time from across a research organization, whether that data is stored in Accelrys software or elsewhere. It allows scientists to ask questions that cannot be answered by a single data source. This allows organizations to break down silos of data and ensure that results produced by one group or department are immediately available to scientists in another department who need to make decisions based on that data. This in turn ensures that scientists are not making decisions based on incomplete information, or based on stale data collected at an earlier time. Decision making is enhanced, likely leading to more efficient discovery projects which progress at a faster pace than they would have had decisions been made without all relevant information being available.

Scientific Data Analysis

Pipeline Pilot and Accelrys Insight allow scientists to make sense of the vast amounts of data that they can now access about their projects. Automated and interactive visual analysis allows them to quickly distill the important information from these data, aiding in their decision making.

Reporting and Collaboration

Pipeline Pilot and Accelrys Insight allow scientists to quickly and accurately collate data into reports and presentations to summarize their findings, and together with collaboration tools such as SharePoint and the Notebook, allows them to share and collaborate with scientists across other disciplines across their project, organization, or external collaboration network.

Scientific Representation

Comprehensive, sophisticated data models allow scientists to represent their chemical entities including small molecules, Markush and non-specific structures and chemically modified biologics.

Learn more about Accelrys cheminformatics products:

  • Accelrys Cheshire – Custom cheminformatics business rules enabling R&D organizations to standardize chemical and biological sequence registration, structure queries, displays and calculations
  • Accelrys Database Search – Accelrys Database Search is a web-based, out-of-the-box solution designed for searching, browsing, organizing and reporting on data used by R&D organizations.
  • Accelrys Direct – The preeminent chemistry data cartridge for Oracle databases that supports the capture and management of structures, reactions and biological sequences
  • Accelrys Draw – Chemistry drawing software  for the accurate representation, registration and searching of structures, reactions and biological sequences, and the production of publication-quality graphics
  • Accelrys JDraw – A lightweight, no-fee structure editor for the development of custom web and rich client applications that require chemical structure queries and/or chemical structure rendering functionality
  • Accelrys Insight - A decision support environment which provides the ability for discovery teams to make better informed decisions, faster.
  • Accelrys Insight for Excel - An add-in to Microsoft Excel providing scientific data analysis capabilities within the familiar spreadsheet environment.
  • Accelrys Registration – Offers R&D organizations of all sizes a flexible, fully featured application for building and managing consistent, searchable and shareable corporate compound registries based on industry-leading Accelrys chemical representation technology.
  • Chemical and Biological Representation – Accurate representation of the broad range of chemical structures and biological sequences relevant to a wide range of industries.
  • Cheminformatics Collection – Search different data sources, automatically organize results, and enable the reuse, sharing, reporting and analyzing of data.
  • Chemistry Collection – Acquire and manage compounds with this comprehensive suite of molecular property calculators, filters and manipulators.

Legacy Products: