Dotmatics für Chemie- und Materialinnovationen

Wissenschaftliche Daten werden mehr Wert

Überblick

F&E-Digitalisierung, die für Sie arbeitet!

Materialinnovation kombiniert typischerweise eine Vielzahl wissenschaftlicher Disziplinen, darunter synthetische Chemie, Polymerwissenschaft, Formulierung und Prozessentwicklung. Daher erfordert die Digitalisierung der Materialinnovation einen datenzentrierten Plattformansatz, der eine umfassende Sicht auf alle Forschungsdaten ermöglicht, die mit einem bestimmten Projekt verbunden sind, anstelle von Silo-Systemen, in denen wissenschaftliche Disziplinen ihre Daten in separaten IT-Umgebungen bearbeiten.

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Ihre Herausforderungen

Was brauche Sie

Schneller innovieren?

Wissenschaftler müssen ihre Daten optimal nutzen, um geistiges Eigentum für neue Produkte wiederzuverwenden und doppelte, fruchtlose Arbeit zu vermeiden

Mit weniger mehr erreichen?

Forschungsmanager müssen den Labordurchsatz erhöhen, nicht wertschöpfende Arbeit vermeiden und gleichzeitig Projekte auf ihre Erfolgschancen hin überprüfen

Globalisierte Innovationsnetzwerke befähigen?

Unternehmen benötigen einen freien Informationsfluss zwischen Kunden, Lieferanten, Partnern und internen Teams, während IP sicher und geschützt bleibt

Fähigkeiten

With Dotmatics you can

icon Verfügen Sie über eine datenzentrierte, einheitliche Plattform und rollenbasierte Workflows

Dotmatics implementiert die große Variabilität der F&E-Workflows, die in der Materialinnovation zu finden sind, mit konfigurierbaren Vorlagen.

Das bedeutet, dass alle Datentypen, die zu einem bestimmten experimentellen Workflow gehören, logisch miteinander verbunden sind. Dies vereinfacht die Annahme durch den Endbenutzer, da die Labortechniker nur an den Datenfeldern arbeiten, die für sie relevant sind. Außerdem werden Probleme der Datenverwaltung gelöst, da dieser Ansatz die Herausforderungen beseitigt, die normalerweise mit siloartigen IT-Systemen verbunden sind.

icon Visualisieren Sie Ihre Daten zur Entscheidungsunterstützung

Mit dem Abfrage Framework von Dotmatics brechen Wissenschaftler Datensilos auf, indem sie Suchanfragen über interne und externe Datenbanken hinweg in einzelnen durchsuchbaren Projektansichten aggregieren. Die Fähigkeit zur Struktursuche über mehrere Projekte hinweg ermöglicht es den Teams, die Erfahrungen des Unternehmens wiederzuverwenden. Einfach zu bedienende Analysewerkzeuge, die in den Datenvisualisierungstools von Dotmatics enthalten sind, ermöglichen es den Projektteams, ihre Daten auf einer gemeinsamen Plattform zu analysieren und zu visualisieren, um eine integrierte Entscheidungsfindung zu ermöglichen, was letztendlich zu einer schnelleren Produktumsetzung führt.

icon Domänenspezifische Fähigkeiten bereitstellen

F&E-Daten können nur dann korrekt erfasst, gespeichert und analysiert werden, wenn alle relevanten wissenschaftlichen Domänen-Fähigkeiten innerhalb der IT-Systeme korrekt dargestellt werden. Die Dotmatics-Lösungen für elektronische Labornotizen (ELN) implementieren einen kompletten Satz dieser domänenspezifischen Fähigkeiten, einschließlich synthetischer Chemie, Formulierungen, Prozessentwicklung, Analytik und Prozessentwicklung.

icon Digitalisieren Sie das Labor

Wissenschaftler planen und erfassen Experimente in Dotmatics ELN mit Vorlagen, die für jeden Experimenttyp konfiguriert sind. Diese können stark strukturiert sein, um zum Beispiel den Syntheseweg eines Wirkstoffs zu erfassen, oder viel mehr ad hoc leistungsbezogene Experimente. Wissenschaftler sind in der Lage, Dateien wie Tabellenkalkulationen, Dokumente, Bilder und Videos zu erfassen, um eine Notizbuchseite zusammenzustellen.

Products

This solution consists of:

iconDotmatics Browser

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.

  • 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.

iconDotmatics Studies Notebook

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

  • 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

iconDotmatics Vortex

Dotmatics 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.

  • 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 databases

iconDotmatics Platform

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.

  • 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

iconDotmatics Chemselector

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.

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

iconDotmatics Cascade

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.

  • 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 autopopulate experiments to execute them
  • Teams can see request status and monitor compound or sample progression

iconDotmatics Reaction Workflows

Dotmatics 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:

  • 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

iconDotmatics Inventory

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.

  • 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

iconDotmatics Pinpoint

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

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.

iconDotmatics Elemental

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

  • 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

iconDotmatics Register

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

  • 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)