BIOVIA Pipeline Pilot

As official BIOVIA re-seller in Europe Discngine offers BIOVIA's flagship for scientific workflow programming and authoring, Pipeline Pilot.

Create & publish science-based services in the blink of an eye

Built on the BIOVIA Foundation, Pipeline Pilot enables scientists to rapidly create, test and publish scientific services that automate the process of accessing, analyzing and reporting scientific data, either for the scientist’s personal use or for sharing across the scientific community. Using Pipeline Pilot, scientist, researchers, engineers, and analysts with little or no software development experience can create scientific protocols that can be executed through a variety of interfaces including Accelrys Web Port, other Accelrys solutions such as Accelrys Electronic Lab Notebook, Isentris, Chemical Registration and third-party applications such as Microsoft SharePoint or customer-developed applications. These protocols aggregate and provide immediate access to volumes of disparate research data locked in silos. They automate the scientific analysis of the data and enable researchers to rapidly explore, visualize and report results.

In order to address new challenging areas with Pipeline Pilot you can extend the platform by purpose built component collections. These allow advanced analysis capabilities in areas like Image Analysis, Chemistry, ADMET Analysis & Prediction, Next Generation Sequencing, Pipeline Pilot Analytics and Machine Learning and many more. 

Pipeline Pilot enables science-based organizations to:

  • Save time by automating tedious manual and error-prone tasks and share those workflows throughout the scientific community, enabling scientists to spend more time on innovation.

  • Lower costs by avoiding unnecessary experiments through improved access to scientific information locked in disparate silos.

  • Improve operating efficiency by automating common scientific workflows and by empowering scientists to address their constantly changing requirements without relying on IT.

  • Complete R&D projects up to 10X faster by leveraging existing research and intellectual property and automating routine data gathering and analysis processes.

  • Encapsulate and deploy best practices to ensure compliance and enable collaboration across your research and development organizations.

  • Rapidly build and deploy high quality scientific solutions based upon standard technologies and widely accepted science.

  • Improve decision making with better, faster experimental results through real-time reporting dashboards.

  • Reduce support costs by integrating incompatible, point solution software and databases.

  • Search Accelrys sourcing and bioactivity databases (installed in-house or accessed via the Database Web Service)

Name *
Name

BIOVIA Discovery Studio

As official BIOVIA reseller in Europe, Discngine offers BIOVIA's flagship for computational chemistry and biology, Discovery Studio.

 

Comprehensive Modeling and Simulations for Life Sciences

Drug discovery is a multi-objective optimization. Scientists have to optimize both biochemical potency and characteristics such as ADME and toxicity. The latest release of BIOVIA’s predictive science application, Discovery Studio®, continues the evolution of new science in its market-leading biological simulation tools and enhancements to its small molecule design suite. Built on BIOVIA Foundation™(formerly Accelrys Enterprise Platform), Discovery Studio® is uniquely positioned as the most comprehensive, collaborative modeling and simulation application for Life Sciences discovery research.

With Discovery Studio, you can:

  • Investigate and test hypotheses in silico prior to costly experimental implementation, thus reducing the time and expense involved in bringing products to market.

  • Drive scientific exploration from target identification to lead optimization with a wealth of trusted life science modeling and simulation tools.

  • Leverage an open and scalable platform to automate processes, create and deploy custom workflows with BIOVIA Pipeline Pilot, and integrate data types, databases, and third-party or in-house tools.

  • Enhance personal productivity and boost team collaboration by enabling researchers to share data and make better informed decisions.

Partner Science:

  • CHARMm: Incorporates the latest release of the molecular dynamics simulation software, version 39b1. The well-known CHARMM software is developed by the group of 2013 Nobel Prize in Chemistry, Martin Karplus.

  • GOLD: Dock Ligands (GOLD) now includes support for the latest release of CCDC GOLD, version 5.3.

  • NAMD: Distributed with the NAMD CPU edition, version 2.9.

  • MODELER: Incorporates the latest release of the academic MODELLER, version 9.14.

GPCR-ligand interactions in a 3D viewer (left part) interactively linked to a 2D ligand interaction diagram (right part).

Discovery Studio Capabilities

  • Simulation (Minimization, MD, QM/MM)

  • Macromolecule Design and Analysis

  • Antibody Modeling

  • Structure-Based Design

  • Pharmacophore and Ligand-Based Design

  • QSAR, ADMET and Predictive Toxicology

  • X-Ray

  • Visualization

New Features in the Latest Release 4.5

  • Antibody Modeling Cascade.

    • Automatically generate accurate and robust 3D model structures for one or more antibody Fab or Fv regions, starting from a set of light and heavy antibody chain sequences.

  • Protein property predictions f(pH).

    • Includes new features to calculate mean atomic charges, average dipole moment, net charge, electrostatic contribution to the solvation energy as a function of pH.

    • Together, these properties are useful in studying protein solubility and viscosity, protein-protein docking and enzyme activity.

  • CHARMM Substructure typing engine.

    • Uses sub-structure pattern matching to assign atom types for charmm36, charmm27, and charmm22 forcefields.

    • This provides improved typing for many chemical functional groups, including carbohydrates, lipids, and ligands, etc.(e.g., retinol.)

    • Handles modified amino acid residues such as glycosylated Asn.

    • Includes the ability to import and assign custom atom types and parameters

  • WebGL 3D visualizer.

    • his release includes the first prototype version of our next generation Web Viewer.

    • Based on WebGL technology that is now widely available in modern web browsers, it delivers 3D rendering performance comparable to the Discovery Studio client.

 

Name *
Name

 BIOVIA Insight

BIOVIA Insight Improves Collaboration, Productivity and Innovation

BIOVIA Insight lets you gather all the data you need, visualize and analyze data and collaborate with internal teams and across networked external organizations to gain insight into data and make fast, informed decisions about how to move research projects to the next level. BIOVIA Insight for Excel is an add-in to Microsoft Excel providing scientific data analysis capabilities within the familiar Excel spreadsheet environment.

Insight moves beyond the BIOVIA ISIS, Isentris and Accord legacy informatics products, providing a wholly new, next-generation solution for interactive searching, browsing and visualizing data within the BIOVIA Cheminformatics Suite. Where our legacy (and most competitive) products rely on laborious, form-based queries to search and filter data, BIOVIA Insight lets you filter data and results by scientifically relevant criteria, accelerating query refinement across a broad range of scientific objects. With Insight, you can:

  • Search and Import Data Quickly and Easily– Access data in multiple databases from in-house and web sources, from files or through pre-defined data gathering and processing workflows.

  • Browse and Visualize Data in Detail – Browse data live against the source database and also against project team extracts, using the same user-definable browse forms.

  • Filter and Combine Data – Refine retrieved data by filtering and supplement with additional data from the same sources (searches and data import), ensuring that the right data is always available.

  • Visualize Data Your Way – Use a variety of linked and interactive data views including tables, forms, charts and scientific visual analytics. Define your own views through simple drag-and-drop. Drill-down views provide detail on higher level overview panels. Create your own custom visualizations.

  • Run Extensive Calculations and Analytics – Apply integrated calculations and advanced scientific analytics directly to your data and visualize the results.

  • Collaborate Effectively – Load, analyze and visualize data and share your results with collaborators; create a team workspace where others can add additional data, analysis, commentary and insight.

  • Make It Your Own – BIOVIA Insight automatically tailors itself to your work, presenting you with recent activities, data and analysis that you have shared with colleagues. Working with the intuitive web interface, you can then further tailor the Insight experience to your workflows and preferences. Developers can further extend BIOVIA Insight through BIOVIA Pipeline Pilot protocols to provide specific scientific calculations, visualizations, exports and reports to meet your organization’s needs and expertise.

Name *
Name

BIOVIA REGISTRATION

As official BIOVIA reseller in Europe, Discngine offers BIOVIA's flagships for substances, batches or biological entities registration, Chemical Registration and Biological Registration.

1. BIOVIA Chemical Registration

A flexible, fully featured, out-of-the-box solution for building, managing, and searching a corporate substance and batch database. Researchers can use BIOVIA Chemical Registration to register single substances, load SDfiles, and leverage comprehensive functionality designed to meet multiple registration needs. Organizations can incorporate their own business rules for drawing and storing substance data.

Configurable

  • Business and application logic and add calculators conveniently by modifying BIOVIA Pipeline Pilot protocols.

  • Database schema without the need for code changes.

  • User roles to support restricting access and editing rights.

  • Reports.

  • Salt and solvent stripping.

Features

  • A modern, configurable web interface.

  • Zero-deployment client.

  • Metadata-driven user interface.

  • BIOVIA Direct for structure storage.

  • BIOVIA Draw, ChemDraw, and ISIS/Draw Support.

  • BIOVIA JDraw built in — simplifying deployment to CROs.

  • Designed to be hosted to CROs.

  • Business and application logic driven by BIOVIA Pipeline Pilot.

  • Web service APIs for accessing external applications, including ELNs.


2. BIOVIA Biological Registration

BIOVIA Biological Registration enables you to register, search and report on a variety of biological entities from a simple, easy to use web client. Out-of-the-box, the system supports the registration of plasmids, siRNA, cell lines (2 types), proteins and antibodies (6 types), vaccines (5 types), yeast, multi-component entities plus the ability to create additional entities of your choosing.

Capabilities

Ability to develop chemically modified biological entities such as antibody drug conjugates or pegylated peptides for registration. Built in close collaboration with top pharmaceutical companies, this award-winning system enables you to:

  • Establish the identity of biological materials by determining their uniqueness and how they relate to one another so that you can avoid the confusion, errors and costs associated with mistakenly treating biological reagents as either identical or distinct and understand their lineage and origin.

  • Track the progress of biological materials through development and discovery via corporate and lot identifiers assigned by the system.

  • Meet current and future needs by creating new entities, modifying existing entities, or by modifying existing business rules for registration, all without having to write any code.

  • Make better decisions faster by using real-time reports, dashboards and powerful query tools to give managers the information they need, exactly when they need it.

  • Reduce total cost of ownership by using an out-of-the-box system that offers flexibility, scalability, and reduced complexity to ensure that the total cost of ownership is lower than creating and maintaining an in-house solution.

What You Can Do

  • Track Lineage and Relationships

    • Perform sequence similarity searching and alignment (BLAST).

    • Explore ‘what if’ analysis prior to registration.

    • Run analysis protocols on entities returned in your specific searches.

    • Store supplemental file attachments against registered data.

    • Search across relationships to understand their lineage and origin.

  • Improve Workflows and Decision Making

    • Bulk import, edit, and export to/from Microsoft Excel® spreadsheets.

    • Auto-populate data based on established business rules.

    • Use existing lots as templates for further registration.

    • Correct lot and corporate ID data from the user interface.

    • Connect to inventory systems.

    • Integrate with ELNs.

    • Create new analysis and reporting tools using Pipeline Pilot and provide them within the BIOVIA Biological Registration user interface to users.

    • Record complete audit trails.

    • Create management dashboards for oversight and decision making.

  • Assess Uniqueness

    • Automatically cross-reference “new” entities against those already in your enterprise database.

    • Import sequences from external databases (Genbank, VNTI, FastA).

    • Incorporate results from external services (Identified, Entrez Gene).

    • Assign corporate identifiers.

    • Edit current entities and create new ones to develop the system with your future requirements.

  • Modify and Reconfigure

    • Create new entities or edit existing ones.

    • Modify or create new business rules to support your own business needs and workflows.

    • Design custom vocabularies to support your custom entities.

 

Example of a substance registration form.

Display of a search by substructure in the registration database.

 

Relationship query to find monoclonal antibodies generated by transfection of a cell line.

BIOVIA Biological Registration provides a system for recording the progress and relationships among the components needed to develop a bio therapeutic.

Name *
Name

BIOVIA ScienceCloud

Transform the way you run your externalized R&D project: multiple collaborators, single platform, one conversation.

Empower your virtual teams with a new generation of integrated, cloud-based applications built on a world-class platform. 

Stay in touch and communicate with your virtual teams using social networking designed for project-centered science. Make sociable Science.

ScienceCloud Applications

Projects

ScienceCloud offers secure collaborative project management and the ability to share project information (whether structured data or documents) using a unique social networking approach to scientific collaboration. 

Experiments

A flexible, multi-disciplinary, low-cost-of-ownership electronic lab notebook empowers sponsor organizations and network partners to capture and share experimental methods.

Assay

Assay is an integral part of the collaborative discovery platform provided by ScienceCloud. It is a lightweight, easy to use web application for the analysis and management of plate based screening data.  It is workflow-based and combines visual analytics, large data storage and scientific capabilities in order to support fast and reproducible data transformation and analysis. 

Analysis

A browser and mobile friendly approach to rapidly answering scientific questions, providing advanced scientific analysis and visualization for scientists. Built on the industry-standard BIOVIA Pipeline Pilot scientific authoring application, Pipette Analysis allows scientists to construct their own, informative analysis workflows for chemistry, biology, imaging and other scientific domains, and easily share results with colleagues.

Authoring

A Pipeline Pilot-based environment for the creation and management of scientific services, implementation of standard business rules, and enabling of data integration between ScienceCloud and on-premises systems.

Exchange

An open portal where scientists can publish and share Pipeline Pilot protocols (for example, reports created from ScienceCloud data), enhancing broad dissemination of essential research tools within the ScienceCloud community.

ScienceCloud home page with available apps (on the left) and a social platform (on the right).

 

Query form and result window following a registration in the Project Data application.

Pipette Analysis interactive workflow for manipulating compounds in the Project Data database.

Pipeline Pilot client used to create protocols and publish them into ScienceCloud (analysis protocol for Pipette for example).

A Secure Cloud Solution

Science is a cloud-based information management and collaboration workpace designed to support globally networked life science R&D. It allows customers and partners to efficiently access, share, and communicate critical information in a secure and timely manner.

ScienceCloud Security covers different topics, such as :

  • Information Security Management

  • Risk Management

  • Software Development Life Cycle (SDLC)

  • Security Best Practice

  • Access Control

  • Multi-Tenancy with Built-in Security

  • Data Classification and Isolation of Customer Data

  • Business Impact Analysis and Disaster Recover

Name *
Name

BIOVIA Direct 

The BIOVIA Direct data cartridge for use with the Oracle database management system improves R&D efficiency, project team collaboration and IP management by enabling scientists to securely register, search, retrieve, explore and compare novel chemical structures and reactions and macromolecular sequences stored in a single, fully searchable database.

BIOVIA Direct and BIOVIA Pipeline Pilot use the same chemistry engine delivering harmonized results regardless of the workflow – The Same Chemistry Everywhere.

What you can do with BIOVIA Direct

BIOVIA Direct supports the widest range of chemical structure types including: small drug-like structures, to mixtures and formulations, polymers, chemically modified sequences and antibody-drug-conjugates (ADC).

The following are supported:

  • Stereochemistry

    • tetrahedral and non-tetrahedral

    • enhanced atropisomer support

  • Biologics

  • Polymers

  • Mixtures and Formulations

  • Variable attachment bonds

  • Markush homology groups

  • Generic structures for resitration and queries

  • Haptic and coordination bond

  • Hydrogen bond

  • Reactions

BIOVIA Direct uses a new, hybrid representation that combines the best features of bioinformatics and cheminformatics notations, improving multidisciplinary collaborative research by enabling scientists to:

  • Register and retrieve structures, reactions and biomolecular sequences including peptides, oligonucleotides and oligosaccharides

  • Search for and view chemical modifications in sequences

  • Develop structure-activity correlations in sequences

BIOVIA Direct is database-tested and offers proven performance with databases containing more than 69 million structures and more than 17 million reactions.

Name *
Name

BIOVIA Assay

BIOVIA Assay is an integral part of the discovery workflow for the BIOVIA Biologics and BIOVIA Cheminformatics solutions. It is a lightweight, easy to use web application for the analysis and management of plate based screening data. The application enables rapid customization by following a guided and configurable workflow so that you can more easily identify and select optimal candidates for further investigation and analysis.

Integrated with BIOVIA Pipeline Pilot, BIOVIA Assay lets you design and manage your screening campaigns. Our Oracle based platform covers analysis of cellular, molecular and high content screening. Fully integrated with your lab equipment, Assay can be adapted to your needs and thus extended to very specific types of analyses. BIOVIA Assay is fully compatible with BIOVIA Sample, our sample management and tracking platform.

Key Features

  • Dynamic Control and dilution for plate data design

  • Dynamic sample mapping

  • Embedded data warehouse for results sharing and data integration

  • Automated calculations and statistics

  • Cross run and profiling analysis

  • R statistics model integration

  • Integration options for Pipeline Pilot and Tibco Spotfire

Name *
Name

*Powered by Discngine

BIOVIA Sample for Assay

BIOVIA Sample for Assay provides an intuitive web-based solution for your low to high volume biological and chemical plate-related sample management. It effectively tracks large numbers of samples and the steps needed to prepare them – including splits, pools, replications, reformats, dilutions, aliquots, and more. Its flexible design is compatible with desktops, tablets, and mobile devices, allowing users to seamlessly take their work with them from their desk to the lab bench.

Coupled with BIOVIA Assay, these integrated solutions can help researchers track and manage the data that comes from high-throughput, plate-based assays back to the job and materials that created it. It helps distributed research teams more quickly share their data and collaborate, streamlining screening campaigns.

BIOVIA Sample for Assay helps scientists automate non-value added tasks in managing plate-based samples, simplifying lab operations and reducing manual errors.

Key Features

  • Job-based system ensures easy sample traceability

  • Unified environment to monitor liquid and solid sample inventory

  • Integrates directly with robotic equipment, barcode printers, balances, and other lab equipment

  • User-administrated preparation workflows

  • User-centric management of entities and dictionaries

  • Oracle SQL compatible

Name *
Name

*Powered by Discngine

 BIOVIA Electronic Lab Notebook

Electronic Laboratory Notebooks (ELNs) are rapidly becoming a core part of every laboratory operation in industries from pharmaceuticals, to chemicals, to consumer goods and more. ELNs streamline the documentation and protection of intellectual property, help scientists collaborate in increasingly global and networked activities from discovery to manufacturing, and make scientific data and observations associated with experimentation easier to search, find and use.

An ELN can be more than just simply an electronic version of a paper laboratory notebook. It provides additional value through use of data and information, the creation and maintenance of a knowledge repository, and improved efficiency in the laboratory. With an ELN you can record, organize and secure experimental information to find, share and reuse critical knowledge globally.

Benefits of an ELN:

  • Protect IP - document invention and innovation for patent filings, defense, and interferences

  • Collaborate locally or globally within and between departments

  • Reduce compliance risks and improve data quality

  • Cut cycle times by 50% - reducing the time spent looking for data

  • Lower costs by 25% - eliminating repeat experiments

  • Improve productivity by 25% - removing non-value added manual activities and human errors

BIOVIA as the leading provider of ELNs offers solutions for different user requirements when moving from paper and Excel to an electronic solution:

BIOVIA Notebook for IP Protection, Collaboration and Easy Deployment (Formerly Contur ELN)

BIOVIA Notebook is an easy-to-use, easy-to-deploy electronic lab notebook solution for IP protection and collaboration on-premises or cloud.

BIOVIA Notebook can be deployed out-of-the-box, on-premises as a client-server installation or in the cloud. It has very rapid deployment and adoption times and doesn’t require extensive IT and informatics support. It is scalable and is equally suited for small user groups such as individual labs or project teams as well as for enterprise-wide implementations covering 1,000s of users. BIOVIA Notebook is designed to easily and accurately store, search, re-use, share, and protect data and entries. It is easy to configure and the simple and intuitive user interface significantly reduces training time.

BIOVIA Notebook improves the collaboration between users at any domain in any science-based industry and helps to protect the real value of an organization - its Intellectual Property. Likewise it supports users to improve information sharing and reuse, to streamline process documentation, and to improve the overall productivity.

BIOVIA Workbook for Workflow Support, Integration, and Regulatory Compliance (Formerly Symyx ELN)

BIOVIA Workbook is a multi-discipline electronic lab notebook to document and manage the flow of information, tasks and materials within and between labs.

BIOVIA Workbook includes strong integration capabilities and workflow support and provides multiple discipline-specific tools with a great depth of features and functionalities that allow the deployment in multiple domains. The tight integration with instruments and other informatics applications allows BIOVIA Workbook to seamlessly embed the Workbook into a customer’s informatics environment supporting and automating specific workflows. It is scalable and is suitable for the deployment in a small department as well as for enterprise-wide implementations.

BIOVIA Workbook automates and improves the workflow within and between laboratories. Customers can streamline their laboratory processes and documentation, improve their collaboration and collective intelligence, and minimize compliance risks. 

Name *
Name