Products

Dotmatics Browser is a powerful web-based search and reporting solution that provides federated searching across Dotmatics and third party research databases, enabling research scientists to access all of their data whenever they need it, irrespective of where it is stored.

WHAT IT DOES:

• Integrates chemical, biological, assay, notebook and other research databases to provide a single federated search and browse capability
• Provides scientific search, such as chemical substructure and similarity
• Manages project level and personal search forms and views, queries, lists and reports
• Powerful scientific data visualization as forms, tables and charts.

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Blueprint is a web-based visualization and scientific analytics application. It is designed to help project scientists working on small molecule discovery projects to visualize and analyze their data, and to help them to design their next set of compounds to make.

• Simple guided web user interface designed for bench scientists who are not data analysis experts and may not spend all day, every day in data analysis tools
• Interactive visualization of scientific data with charts, tables and grids designed to explore molecular datasets
• A carefully curated set of the more important workflows for chemistry calculations and cheminformatics analytics to understand SAR data sets
• Enables communication through shared workspaces
• Seamless integration to the Dotmatics suite:
  • Browser to assemble project data
  • Reaction Workflows to design libraries and chemical series
  • Vortex to enable deeper ad-hoc analysis

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Dotmatics Studies Notebook is an Electronic Laboratory Notebook (ELN) with flexible templating to capture, store and search experiments from all scientific disciplines.

WHAT IT DOES:

• Dotmatics Studies Notebook allows scientists to capture and store their experiments in a form that is easily searchable by all team members. It allows organizations to secure and audit IP and define signing workflows
• Flexible protocols (implemented as templates) allow the single ELN to accommodate highly structured experiments such as synthetic chemistry and protein purifications, as well as more ad hoc experiment types often useful for target identification and discovery biology experiments. Ad hoc experiments are also often used to support a transition from paper based notebooks
• Dotmatics Studies Notebook allows for collaboration on experiments by multiple scientists within or between organizations

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Dotmatics Studies is a highly flexible, innovative screening data management solution to capture and analyze all types of screening experiments from high content (HCS) and high throughput (HTS) to dose-response and DMPK studies.

WHAT IT DOES:

• Defines analysis protocols for plate and non-plate based assays
• Provides out-of-the-box and custom assay protocols, curve fit calculations, plate readers, and plate layouts captured and stored for re-use
• Supports very high data volume assays
• Defines business rules for very automated classification of results
• Manual or automated processing allows screening scientists to apply the screening protocols to process raw instrument and validate the results, or experiment creation and processing to be driven via an automation layer.
• Once completed and validated, screening results are immediately available via Browser to the project team

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Vortex is an interactive data visualization and analysis solution for scientific decision support. Building on and extending the spreadsheet paradigm, it provides the data manipulation, statistical analysis and sophisticated plotting capabilities required to explore and understand any complexity and size of data. Vortex is also scientifically aware providing native cheminformatics and bioinformatics analysis and visualizations.

WHAT IT DOES:

• Allows users to understand, refine and select from large and/or complex data sets
• Allows teams to collaborate on scientific analysis through shareable workspaces and reusable templates
• Understands numeric, textual, image, chemical structure and biologic sequence data
• Generates high performance, interactive visualizations, including charts and tables
• Handles very large datasets – e.g. tables of millions of compounds by thousands of descriptors or cells containing whole genome sequences
• Has inbuilt data mining, statistical, cheminformatics and bioinformatics analysis functions
• Loads data from many types of file or when used in conjunction with Browser, directly from database

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Find out more about Vortex for Biologics Discovery

Dotmatics’ Bioregister is a web-based application for registering sequence-based, chemically-modified and structureless biological entities, allowing biologics discovery organizations to ensure entity uniqueness and protect their intellectual property. Bioregister supports management of a broad set of biologics entities, including DNA, RNA, peptides and proteins, antibodies, conjugates, non-natural peptides and nucleotides,  plasmids, cell lines and user-defined entities. It also enables users to record batches and samples for these entities, purification and expression information, and other protein production data.

• Records and manages biologic entities, including chemically-modified sequences and sequence-less entities, and associated attribute data and lineages
• Generates chemical representation (where possible) of natural and non-natural entities
• Determines the uniqueness of entities and assigns registration numbers, including using full chemical-based uniqueness where possible
• Manages data associated with entity production, such as protein expression, purification and characterization
• Records batches and samples of protein produced for the entities, with full relationship tracking

Dotmatics Cascade manages the requesting and assignment of laboratory tasks, and tracking the progression of samples, across multiple teams within an organization or across a collaborating network.

WHAT IT DOES:

• Dotmatics Cascade allows organizations to define available services, such as assay execution or analysis and the associated scientific team
• Scientists create requests for services and submit compounds
• Service managers manage, group and assign requests for execution
• Service team scientists accept requests, create and auto-populate experiments to execute them
• Teams can see request status and monitor compound or sample progression

Dotmatics Chemselector manages very large chemistry datasets with fast search and trivially simple maintenance/update. It has a modern user interface focused on browsing and filtering for molecule, reagent and sample selection. The available eMolecules+ for Chemselector dataset provides access to highly curated eMolecules sourcing data.

What it does

Chemselector

• High performance chemical searching, filtering and selection designed to support critical medicinal and synthetic chemistry workflows including: +building block selection + fragment set design + screening molecule selection for scaffold hopping + chemical series validation for hit to lead campaigns (“SAR by catalog”)
• Uses Dotmatics provided datasets such as eMolecules+ for Chemselector and ChEMBL for Chemselector, or datasets built in-house from corporate or public databases

eMolecules+ for Chemselector

• A sourcing dataset of over 20 million compounds and 8 million unique chemical substances with availability, pricing and packaging information from hundreds of suppliers using data curated by eMolecules
• Provides additional information to the eMolecules source data to enhance searching, including deprotected structures, calculated physicochemical properties and structure classes
• Simple monthly updates provide the latest eMolecules supplier and catalog data

Mobile technology offers a unique opportunity to collaborate, access data and make decisions on the go, increasing throughput and reducing time consumed by review processes. The Dotmatics Platform on the cloud allows the integration of multiple, diverse systems and data sources. Organizations can now securely access all of the Dotmatics solutions, using a web browser, on their own dedicated instance running in the cloud. This provides users with an all-encompassing view of relevant information, enabling better informed science and business decisions.

The Dotmatics Platform in the cloud is powered by Amazon Web Services™ (AWS). Data security is guaranteed when using the gold standard AWS infrastructure. Dotmatics’ solutions are installed in Amazon-controlled data centers around the world thus ensuring that data is housed at the user’s preferred location. The Dotmatics Platform provides a single point of access to all science data and functions across multidisciplinary groups. The flexibility enables scientists, collaborators and partners to instantly interact with the same data via the cloud regardless of location and time zone, fulfilling the promise of real time research.

WHAT IT DOES:

• Each customer’s data is held in a separate dedicated instance
• Access to your instance is controlled by two layers of firewall and user authentication
• All traffic to/from the instance is HTTPS/SSL encrypted using a 2048-bit GlobalSign certificate
• All instances run centrally managed Trend Micro anti-virus software

At the heart of collaborative research

• Dotmatics Cloud in combination with the Dotmatics Platform revolutionizes the way that collaborative research is done
• Dotmatics’ flexible and comprehensive platform offers secure access to users per project
• Not just simple file sharing, but true idea generating solutions
• Internal and external R&D teams across the world can share data and generate new discussions leading to the creation of innovative ideas and IP

Protect and control your database with single tenancy

• A separate instance of the Dotmatics Platform and its supporting infrastructure is available to each customer, which provides significant capability to easily configure the system to mirror the requirements of each team
• For example, R&D teams can adapt features such as additions to individual modules to various internal databases and external partner databases

Secure access from users’ preferred device

• Simply set up new collaborative projects with multiple teams and start sharing data promptly with no extra training required for users with computers or mobile devices
• Data from collaborators can be accessed in real time by all members of a project, enabling around-the-clock global research
• The Dotmatics Platform is hosted within the secure and private AWS infrastructure
• Amazon’s servers are supported by ISO 27001 certification and have successfully passed multiple SAS70 Type II audits

Dotmatics for Office makes Microsoft™ Office® applications such as Excel®, PowerPoint®, Word, OneNote and Outlook® chemically aware.

WHAT IT DOES:

• Adds live chemistry to documents, emails, spreadsheets and presentations
• Works with Dotmatics Browser to retrieve chemistry and associated scientific data from databases directly into Microsoft Office applications
• Provides property calculations, searching, enumeration and r-group analysis on the live structures in Excel

Dotmatics Elemental is a chemical sketcher that enable scientists to draw, edit and save structures and reactions, and calculate properties.

WHAT IT DOES:

• Sketch molecules, reactions and structure queries
• Calculate chemical properties
• Available as a fully-featured desktop application, iOS app or lightweight JavaScript plugin for sketching in-line in webpages

Dotmatics Gateway is a scientific document management solution that serves as a central place to share project documents and associated information across an internal or externalized team. It provides discussion threads and project events feeds.

WHAT IT DOES:

• Stores and shares project documents such as reports, presentations and literature
• Provides news feeds detailing the latest documents and project results
• Provides discussion threads associated with documents and project events
• Complements structured project databases such as the molecule registry or assay results databases

Dotmatics Inventory is a fully searchable sample and materials inventory that tracks chemicals, biologics, instruments and associated data across a hierarchy of locations and manages the dispensing and plating workflows, as samples are moved through an R&D process.

WHAT IT DOES:

• Defines a hierarchy of storage locations for an organization
• Track samples in containers such as bottles and plates in those storage locations
• Manages research materials, reagents and assets
• Manages the aliquoting and dispensing workflows to distribute samples for testing
• Maintains a full audit trail
• Allows for searching and reporting on inventory information alongside other corporate data

Dotmatics Nucleus is a straightforward solution for importing flat files, such as spreadsheets, into a database.

WHAT IT DOES:

Easily upload data from a variety of sources ready for query and reporting in Dotmatics Browser.

Dotmatics Pinpoint is a chemical cartridge for indexing and searching chemistry within Oracle databases.

WHAT IT DOES:

Pinpoint enables indexing of chemical structures, calculations of physical chemical properties and substructure searches within an Oracle database. It is used to support structure searching with Dotmatics Browser, check for structural uniqueness and register molecules in Dotmatics Register, and store and search chemical reactions in Dotmatics Studies Notebook.

The Dotmatics Platform is the common framework that supports the Dotmatics web-based scientific applications and allows them to work together to provide users seamless end-to-end workflows. The Platform supports managed deployments in the Cloud or self-supported deployments on premise. An open architecture enables workflows to include third-party software integration. When used together with Dotmatics Browser the Platform allows federated data access across corporate and external research data. The Dotmatics Platform is completely unified – it provides common data models, code and architecture to support business workflows that span the capabilities of the individual applications. This is important for enterprise enablement of research organizations, providing ease of maintenance and development. It gives the lowest possible total cost of ownership compared to platforms that support their applications with less tightly integrated collections of multiple technologies and/or architectures with multiple development histories.

WHAT IT DOES:

• Provides the framework that supports all Dotmatics web-based scientific applications and allows them to work together to provide seamless workflows.
• Portal for administrators to manage users and groups, applications and configurations
• Provides APIs for automation and integration with 3rd party software
• When used in conjunction with Dotmatics Browser provide access to data from across an organization and externally

Reaction Workflows is a graphical environment that enables scientists to build and execute data processing workflows to perform common cheminformatics tasks, such as library enumeration, structure normalization and compound profiling. Users build workflows in a drag-and-drop environment by selecting and connecting nodes that provide inputs (e.g a list of reagents) and outputs (e.g. view in Dotmatics Vortex) or perform actions (e.g. perform a reaction), configuring them with data and then executing the workflow to produce results. Many different tasks can be configured including:

WHAT IT DOES:

• Synthetic library enumeration for an ELN experiment
• Virtual library enumeration and profiling for virtual screening
• Structure normalization for registration
• Idea generation via lead hopping or to avoid liabilities
• Chemistry file clean up

Dotmatics Register is a web-based compound and batch registration system used to maintain corporate chemical registration and reagent databases.

WHAT IT DOES:

• Captures chemical structure and associated data for newly synthesized or acquired compounds
• Determines uniqueness and assigns new corporate IDs and/or new batch/lot IDs
• Allows for single compound or batch registration
• Allows registration from its own UI or from an ELN (Dotmatics or third party)