To make the best informed decisions about their research projects, scientists must be able to
- quickly and easily gather and curate all the relevant scientific data from within their organization and outside
- visualize the data and apply analytics to understand the information within the data
- design or select the molecules, biologics, formulations or materials to make and test next
- work with their teams in-house or at collaborators to make the project progression decisions
But in many research organizations data is held in siloed databases that are hard to access and join together, analytics and visualization tools require special skillsets to use, and design tools are separated from the laboratory systems that scientists use on a daily basis. So scientists often have to make the best decisions they can without all the relevant data and analysis.
Dotmatics’ solution for Decision Support breaks down data silos, providing easy to use, integrated tools for scientists and their project teams to gather, curate, analyze and visualize their data.
Breaking Down Data Silos
Research data is often held in siloed databases commonly from different vendors, with the corporate chemical registry in one database, biologics repository in another, screening results in a third, ADME/PK etc in yet others. So when scientists need to ask questions that cross these data sources it is often a difficult, manual, time consuming and error-prone process. Dotmatics Browser provides an infrastructure to federate scientific database searches across all these data sources, whether the data is held in Dotmatics systems or those of other informatics vendors (such as Perkin-Elmer, IDBS, BIOVIA, Chemaxon). It provides simple, configurable, query-by-form user interfaces so scientists can quickly search for all the data that they need without needing to know where or how it is stored; and then browse that data in form or table views.
Easy Visualization and Analysis
Having gathered their data, scientists need to visualize and manipulate it to uncover the information it holds. With one click a Browser hit list is sent to Vortex, creating tables of data from which charts and graphs can quickly be generated and statistics applied to help uncover trends in the data. Scientists use interactive filters to refine their data sets, closing in on the members which will inform their next round of experiments. With another click of a button, this selection is returned to Browser as a new hit list, ready to be submitted to the next experiment, such as a follow-up assay.
Whether the research project is small molecule drug discovery, chemical research or material formulation, the Dotmatics solution has the chemical intelligence needed to search and analyze molecular data. Browser can federate substructure and similarity searches on chemistry data sources with searches of test results to quickly home in on data sets for analysis, and allows chemical properties to be calculated and searched alongside experimental data. Structures in Vortex are live and can be rendered in 2D or 3D. Vortex provides extensive cheminformatics property calculations and analytic tools such as R-group analysis, chemical clustering and matched molecular pairs along with specialist plots such as 2D-SAR(Structure- Activity Relationship) plots to render and explore the results.
When Browser is connected to a biologics repository, sequence databases can be searched alongside other sources such as biological activity. Sequences in Vortex are live objects that can be viewed interactively in a variety of display formats, and analyses such as sequence alignment, sequence clustering, and ORF (open reading frame) detection are available along with novel BSAR (biologics sequence activity relationships) techniques.
Collaboration and Team Decision Making
Scientific decision making is a team activity, so it is important that project teams have access to common views and analyses, and can easily share their results. Browser is project based and within Browser teams can share common project forms, queries and results. Individuals can also quickly share their queries and results with other team members. Vortex also supports sharing with the ability to define templates for common views of data, or share entire workspaces.
Putting the Science into Microsoft Office
Excel, Word and PowerPoint are favorite tools of many scientists but by themselves are not good at loading or handling scientific data. Dotmatics for Office enables scientists to retrieve data directly from Browser data sources into documents and spreadsheets, for example with one click creating a project structure-activity table in Word or a PowerPoint slide with chemical series results. Structures in Office become live, making Excel a powerful chemical spreadsheet able to calculate properties, perform R-group analysis and enumerate parallel synthesis libraries. Even an email in Outlook from a colleague with a corporate ID number can quickly be converted into the chemical structure. With Dotmatics for Office, Microsoft Office becomes an integral part of the decision-making process.