Isentris 4.0 includes updates like enhanced charting, linking data from electronic lab notebooks, and virtual parents for improved performance. It also adds support for new chemical representations, Pipeline Pilot integration, and Tibco Spotfire. Key new features include calculation tools, improved structure handling in Excel, expanded library of experimental data access and export, and flags for data filtering. The update leverages Isentris technology within the Accelrys Enterprise Platform for web-based decision support.
EA User Group London 2018 - Extending EA with custom scripts to cater for spe...Guillaume Finance
Enterprise Architect supports most modelling languages and notations i.e. UML, BPMN, SysML, and ArchiMate. Whether EA is used to build models for a software application, identify business processes, define the system with the MBSE approach, or carry the IT landscape via the business, application and technical layers, customizing the notation with stereotypes and adding tailored features is almost a recurring request. Automated tasks and additional features can be built using EA API via scripts, add-ins, external tools, etc.
Based on a large number of scripts implemented for clients involved in software, data, and systems engineering, Guillaume will share his experience on this growing activity over the past years:
- Overview of the covered topics (custom Excel import/export, model QA, save users' time in avoiding repetive or time consuming tasks, manage EA users & groups via Excel, run a reverse on unsupported languages such as Fortran...)
- Demonstration of a selection of scripts.
- The need to organize and name scripts.
- Debug scripts.
- Compatibility with different DBMS and the Cloud connexion
- Hints and custom scripts to publish scripts
- Addressing the lack of sub menus with more than 20 scripts
- Automatically trigger scripts with Geert's free ea-matic add-in
AUSOUG - NZOUG - Groundbreakers - Jun 2019 - 19 Troubleshooting Tips and Tric...Sandesh Rao
This part of the workshop will focus on 19 troubleshooting tips and tricks for DBA’s covering tools from the Oracle Autonomous Health Framework (AHF) like Trace File Analyzer (TFA) to collect , organize and analyze log data , Exachk and orachk to perform mass best practices analysis and automation , Cluster Health Advisor to debug node evictions and calibrate the framework , OSWatcher and its analysis engine , oratop for pinpointing performance issues and many others to make one feels like a rockstar DBA
DataPatterns - Profiling in ECL Watch HPCC Systems
DataPatterns.Profile() has been evolving since the last time you may have seen it. It does more. It looks better. It has been integrated into the ECL standard library and into ECL Watch. Learn what this data profiler can do for you and how its built-in visualization easily summarizes the results.
Big Linked Data ETL Benchmark on Cloud Commodity HardwareLaurens De Vocht
Linked Data storage solutions often optimize for low latency querying and quick responsiveness. Meanwhile, in the back-end, offline ETL processes take care of integrating and preparing the data. In this paper we explain a workflow and the results of a benchmark that examines which Linked Data storage solution and setup should be chosen for different dataset sizes to optimize the cost-effectiveness of the entire ETL process. The benchmark executes diversified stress tests on the storage solutions. The results include an in-depth analysis of four mature Linked Data solutions with commercial support and full SPARQL 1.1 compliance. Whereas traditional benchmarks studies generally deploy the triple stores on premises using high-end hardware, this benchmark uses publicly available cloud machine images for reproducibility and runs on commodity hardware. All stores are tested using their default configuration. In this setting Virtuoso shows the best performance in general. The other tree stores show competitive results and have disjunct areas of excellence. Finally, it is shown that each store’s performance heavily depends on the structural properties of the queries, giving an indication of where vendors can focus their optimization efforts.
EA User Group London 2018 - Extending EA with custom scripts to cater for spe...Guillaume Finance
Enterprise Architect supports most modelling languages and notations i.e. UML, BPMN, SysML, and ArchiMate. Whether EA is used to build models for a software application, identify business processes, define the system with the MBSE approach, or carry the IT landscape via the business, application and technical layers, customizing the notation with stereotypes and adding tailored features is almost a recurring request. Automated tasks and additional features can be built using EA API via scripts, add-ins, external tools, etc.
Based on a large number of scripts implemented for clients involved in software, data, and systems engineering, Guillaume will share his experience on this growing activity over the past years:
- Overview of the covered topics (custom Excel import/export, model QA, save users' time in avoiding repetive or time consuming tasks, manage EA users & groups via Excel, run a reverse on unsupported languages such as Fortran...)
- Demonstration of a selection of scripts.
- The need to organize and name scripts.
- Debug scripts.
- Compatibility with different DBMS and the Cloud connexion
- Hints and custom scripts to publish scripts
- Addressing the lack of sub menus with more than 20 scripts
- Automatically trigger scripts with Geert's free ea-matic add-in
AUSOUG - NZOUG - Groundbreakers - Jun 2019 - 19 Troubleshooting Tips and Tric...Sandesh Rao
This part of the workshop will focus on 19 troubleshooting tips and tricks for DBA’s covering tools from the Oracle Autonomous Health Framework (AHF) like Trace File Analyzer (TFA) to collect , organize and analyze log data , Exachk and orachk to perform mass best practices analysis and automation , Cluster Health Advisor to debug node evictions and calibrate the framework , OSWatcher and its analysis engine , oratop for pinpointing performance issues and many others to make one feels like a rockstar DBA
DataPatterns - Profiling in ECL Watch HPCC Systems
DataPatterns.Profile() has been evolving since the last time you may have seen it. It does more. It looks better. It has been integrated into the ECL standard library and into ECL Watch. Learn what this data profiler can do for you and how its built-in visualization easily summarizes the results.
Big Linked Data ETL Benchmark on Cloud Commodity HardwareLaurens De Vocht
Linked Data storage solutions often optimize for low latency querying and quick responsiveness. Meanwhile, in the back-end, offline ETL processes take care of integrating and preparing the data. In this paper we explain a workflow and the results of a benchmark that examines which Linked Data storage solution and setup should be chosen for different dataset sizes to optimize the cost-effectiveness of the entire ETL process. The benchmark executes diversified stress tests on the storage solutions. The results include an in-depth analysis of four mature Linked Data solutions with commercial support and full SPARQL 1.1 compliance. Whereas traditional benchmarks studies generally deploy the triple stores on premises using high-end hardware, this benchmark uses publicly available cloud machine images for reproducibility and runs on commodity hardware. All stores are tested using their default configuration. In this setting Virtuoso shows the best performance in general. The other tree stores show competitive results and have disjunct areas of excellence. Finally, it is shown that each store’s performance heavily depends on the structural properties of the queries, giving an indication of where vendors can focus their optimization efforts.
In this session we will do a tour of the just released Isentris 4.0. We will see its enhanced visualization component, the new Isentris for Excel renderer, and how Pipeline Pilot can now be seamless called within Isentris, opening a wide set of opportunities to bring new functionalities to the end-users.
OAP: Optimized Analytics Package for Spark Platform with Daoyuan Wang and Yua...Databricks
Spark SQL is one of the most popular components in big data warehouse for SQL queries in batch mode, and it allows user to process data from various data sources in a highly efficient way. However, Spark SQL is a general purpose SQL engine and not well designed for ad hoc queries. Intel invented an Apache Spark data source plugin called Spinach for fulfilling such requirements, by leveraging user-customized indices and fine-grained data cache mechanisms.
To be more specific, Spinach defines a new Parquet-like data storage format, offering a fine-grained hierarchical cache mechanism in the unit of “Fiber” in memory. Even existing Parquet or ORC data files can be loaded using corresponding adaptors. Data can be cached in off-heap memory to boost data loading. What’s more, Spinach has extended the Spark SQL DDL, to allow users to define the customized indices based on relation. Currently, B+ tree and bloom filter are the first two types of indices supported. Last but not least, since Spinach resides in the process of Spark executor, there’s no extra effort in deployment. All you need to do is to pick Spinach from Spark packages when launching the Spark SQL.
sing corresponding adaptors. Data can be cached in off-heap memory to boost data loading. What’s more, Spinach has extended the Spark SQL DDL, to allow user to define the customized indices based on relation. Currently B+ tree and bloom filter are the first 2 types of index we’ve supported. Last but not least, since Spinach resides in the process of Spark executor, there’s no extra effort in deployment, all we need to do is to pick Spinach from Spark packages when launch the Spark SQL.
Spinach has been imported in Baidu’s production environment since Q4 2016. It helps several teams migrating their regular data analysis tasks from Hive or MR jobs to ad-hoc queries. In Baidu search ads system FengChao, data engineers analyze advertising effectiveness based on several TBs data of display and click logs every day. Spinach brings a 5x boost compared to original Spark SQL (version 2.1), especially in the scenario of complex search and large data volume. It optimizes the average search cost from minutes to seconds, while brings only 3% data size increase for adding a single index.
From allotrope to reference master data management OSTHUS
We will present the updated Allotrope framework and cover .adf files and how they are used. We’ll demonstrate semantic modeling in .adf (OWL models + the SHACL constraint language). We’ll show how the data description layer in .adf can be extended via a “semantic hub” that we call Reference Master Data Management, which can be used across the enterprise. RMDM provides a means to integrate metadata about any data source within your enterprise – including structured, semi-structured and unstructured data. Customer examples from current project work will be given where possible. Last we’ll show scalability of this approach using data science techniques can be employed beyond just the metadata – we refer to this as Big Analysis.
Hyperspace: An Indexing Subsystem for Apache SparkDatabricks
At Microsoft, we store datasets (both from internal teams and external customers) ranging from a few GBs to 100s of PBs in our data lake. The scope of analytics on these datasets ranges from traditional batch-style queries (e.g., OLAP) to explorative, ‘finding needle in a haystack’ type of queries (e.g., point-lookups, summarization etc.).
SQL Server 2008
In this event we'll take a look at what's coming down the line for database developers with SQL Server 2008. We'll look at changes to the core engine and the T-SQL language, any changes in the toolset and we'll also take a good look at what's coming with ADO.NET V3.0 in terms of the new Entity Framework and the new Microsoft Synchronisation Framework. If you're a SQL Server developer come along and see what's in store for 2008.
For more details and the original slidedeck visit http://www.microsoft.com/uk/msdn/events/new/Detail.aspx?id=322
Metadata and Provenance for ML Pipelines with Hopsworks Jim Dowling
This talk describes the scale-out, consistent metadata architecture of Hopsworks and how we use it to support custom metadata and provenance for ML Pipelines with Hopsworks Feature Store, NDB, and ePipe . The talk is here: https://www.youtube.com/watch?v=oPp8PJ9QBnU&feature=emb_logo
Logging, Metrics, and APM: The Operations TrifectaElasticsearch
Learn how Elasticsearch efficiently combines logs, metrics, and APM data in a single store and see how Kibana is used to search logs, analyze metrics, and leverage APM features for better performance monitoring and faster troubleshooting.
How to Use a Semantic Layer on Big Data to Drive AI & BI ImpactDATAVERSITY
Learn about using a semantic layer to make data accessible and how to accelerate the business impact of AI and BI at your organization.
This session will offer practical advice on how to drive AI & BI business outcomes with an effective data strategy that leverages a semantic layer.
You will learn how to achieve quantifiable results by modernizing your data and analytics stack with a semantic layer that delivers an order of magnitude better query performance, increased data team productivity, lower query compute costs, and improved Speed-to-Insights.
Attend this session to learn about:
- Gaining business alignment and reducing data prep for your AI and BI teams.
- Making a consistent set of business metrics “analytics-ready” and accessible.
- Accelerating end-to-end query performance while optimizing cloud resources.
- Treating “data as a product” and how to drive business value for all consumers.
6° Sessione - Ambiti applicativi nella ricerca di tecnologie statistiche avan...Jürgen Ambrosi
In questa sessione vedremo, con il solito approccio pratico di demo hands on, come utilizzare il linguaggio R per effettuare analisi a valore aggiunto,
Toccheremo con mano le performance di parallelizzazione degli algoritmi, aspetto fondamentale per aiutare il ricercatore nel raggiungimento dei suoi obbiettivi.
In questa sessione avremo la partecipazione di Lorenzo Casucci, Data Platform Solution Architect di Microsoft.
QuickStart your Sumo Logic service with this exclusive webinar. At these monthly live events you will learn how to capitalize on critical capabilities that can amplify your log analytics and monitoring experience while providing you with meaningful business and IT insights.
Live Webinar is found here: https://youtu.be/Q1yWlInxWVs
QuickStart your Sumo Logic service with this exclusive webinar. At these monthly live events you will learn how to capitalize on critical capabilities that can amplify your log analytics and monitoring experience while providing you with meaningful business and IT insights.
QuickStart your Sumo Logic service with this exclusive webinar. At these monthly live events you will learn how to capitalize on critical capabilities that can amplify your log analytics and monitoring experience while providing you with meaningful business and IT insights.
More info: sumologic.com/training
ScienceCloud: Collaborative Workflows in Biologics R&DBIOVIA
The life sciences industry has undergone dramatic changes and effective global collaboration has become a key success factor in this new age. BIOVIA is providing a hosted and comprehensive solution stack for externalized, collaborative research for pharma/biotech and CROs to address these new challenges. Recently we added the support for biologics data management and IP capture. In this talk we will present collaborative and comprehensive capabilities in antibody characterization and development: capabilities to analyze, annotate and predict developability as part of a framework that facilitates secure data sharing and collaboration.
In this session we will do a tour of the just released Isentris 4.0. We will see its enhanced visualization component, the new Isentris for Excel renderer, and how Pipeline Pilot can now be seamless called within Isentris, opening a wide set of opportunities to bring new functionalities to the end-users.
OAP: Optimized Analytics Package for Spark Platform with Daoyuan Wang and Yua...Databricks
Spark SQL is one of the most popular components in big data warehouse for SQL queries in batch mode, and it allows user to process data from various data sources in a highly efficient way. However, Spark SQL is a general purpose SQL engine and not well designed for ad hoc queries. Intel invented an Apache Spark data source plugin called Spinach for fulfilling such requirements, by leveraging user-customized indices and fine-grained data cache mechanisms.
To be more specific, Spinach defines a new Parquet-like data storage format, offering a fine-grained hierarchical cache mechanism in the unit of “Fiber” in memory. Even existing Parquet or ORC data files can be loaded using corresponding adaptors. Data can be cached in off-heap memory to boost data loading. What’s more, Spinach has extended the Spark SQL DDL, to allow users to define the customized indices based on relation. Currently, B+ tree and bloom filter are the first two types of indices supported. Last but not least, since Spinach resides in the process of Spark executor, there’s no extra effort in deployment. All you need to do is to pick Spinach from Spark packages when launching the Spark SQL.
sing corresponding adaptors. Data can be cached in off-heap memory to boost data loading. What’s more, Spinach has extended the Spark SQL DDL, to allow user to define the customized indices based on relation. Currently B+ tree and bloom filter are the first 2 types of index we’ve supported. Last but not least, since Spinach resides in the process of Spark executor, there’s no extra effort in deployment, all we need to do is to pick Spinach from Spark packages when launch the Spark SQL.
Spinach has been imported in Baidu’s production environment since Q4 2016. It helps several teams migrating their regular data analysis tasks from Hive or MR jobs to ad-hoc queries. In Baidu search ads system FengChao, data engineers analyze advertising effectiveness based on several TBs data of display and click logs every day. Spinach brings a 5x boost compared to original Spark SQL (version 2.1), especially in the scenario of complex search and large data volume. It optimizes the average search cost from minutes to seconds, while brings only 3% data size increase for adding a single index.
From allotrope to reference master data management OSTHUS
We will present the updated Allotrope framework and cover .adf files and how they are used. We’ll demonstrate semantic modeling in .adf (OWL models + the SHACL constraint language). We’ll show how the data description layer in .adf can be extended via a “semantic hub” that we call Reference Master Data Management, which can be used across the enterprise. RMDM provides a means to integrate metadata about any data source within your enterprise – including structured, semi-structured and unstructured data. Customer examples from current project work will be given where possible. Last we’ll show scalability of this approach using data science techniques can be employed beyond just the metadata – we refer to this as Big Analysis.
Hyperspace: An Indexing Subsystem for Apache SparkDatabricks
At Microsoft, we store datasets (both from internal teams and external customers) ranging from a few GBs to 100s of PBs in our data lake. The scope of analytics on these datasets ranges from traditional batch-style queries (e.g., OLAP) to explorative, ‘finding needle in a haystack’ type of queries (e.g., point-lookups, summarization etc.).
SQL Server 2008
In this event we'll take a look at what's coming down the line for database developers with SQL Server 2008. We'll look at changes to the core engine and the T-SQL language, any changes in the toolset and we'll also take a good look at what's coming with ADO.NET V3.0 in terms of the new Entity Framework and the new Microsoft Synchronisation Framework. If you're a SQL Server developer come along and see what's in store for 2008.
For more details and the original slidedeck visit http://www.microsoft.com/uk/msdn/events/new/Detail.aspx?id=322
Metadata and Provenance for ML Pipelines with Hopsworks Jim Dowling
This talk describes the scale-out, consistent metadata architecture of Hopsworks and how we use it to support custom metadata and provenance for ML Pipelines with Hopsworks Feature Store, NDB, and ePipe . The talk is here: https://www.youtube.com/watch?v=oPp8PJ9QBnU&feature=emb_logo
Logging, Metrics, and APM: The Operations TrifectaElasticsearch
Learn how Elasticsearch efficiently combines logs, metrics, and APM data in a single store and see how Kibana is used to search logs, analyze metrics, and leverage APM features for better performance monitoring and faster troubleshooting.
How to Use a Semantic Layer on Big Data to Drive AI & BI ImpactDATAVERSITY
Learn about using a semantic layer to make data accessible and how to accelerate the business impact of AI and BI at your organization.
This session will offer practical advice on how to drive AI & BI business outcomes with an effective data strategy that leverages a semantic layer.
You will learn how to achieve quantifiable results by modernizing your data and analytics stack with a semantic layer that delivers an order of magnitude better query performance, increased data team productivity, lower query compute costs, and improved Speed-to-Insights.
Attend this session to learn about:
- Gaining business alignment and reducing data prep for your AI and BI teams.
- Making a consistent set of business metrics “analytics-ready” and accessible.
- Accelerating end-to-end query performance while optimizing cloud resources.
- Treating “data as a product” and how to drive business value for all consumers.
6° Sessione - Ambiti applicativi nella ricerca di tecnologie statistiche avan...Jürgen Ambrosi
In questa sessione vedremo, con il solito approccio pratico di demo hands on, come utilizzare il linguaggio R per effettuare analisi a valore aggiunto,
Toccheremo con mano le performance di parallelizzazione degli algoritmi, aspetto fondamentale per aiutare il ricercatore nel raggiungimento dei suoi obbiettivi.
In questa sessione avremo la partecipazione di Lorenzo Casucci, Data Platform Solution Architect di Microsoft.
QuickStart your Sumo Logic service with this exclusive webinar. At these monthly live events you will learn how to capitalize on critical capabilities that can amplify your log analytics and monitoring experience while providing you with meaningful business and IT insights.
Live Webinar is found here: https://youtu.be/Q1yWlInxWVs
QuickStart your Sumo Logic service with this exclusive webinar. At these monthly live events you will learn how to capitalize on critical capabilities that can amplify your log analytics and monitoring experience while providing you with meaningful business and IT insights.
QuickStart your Sumo Logic service with this exclusive webinar. At these monthly live events you will learn how to capitalize on critical capabilities that can amplify your log analytics and monitoring experience while providing you with meaningful business and IT insights.
More info: sumologic.com/training
ScienceCloud: Collaborative Workflows in Biologics R&DBIOVIA
The life sciences industry has undergone dramatic changes and effective global collaboration has become a key success factor in this new age. BIOVIA is providing a hosted and comprehensive solution stack for externalized, collaborative research for pharma/biotech and CROs to address these new challenges. Recently we added the support for biologics data management and IP capture. In this talk we will present collaborative and comprehensive capabilities in antibody characterization and development: capabilities to analyze, annotate and predict developability as part of a framework that facilitates secure data sharing and collaboration.
(ATS6-PLAT09) Deploying Applications on load balanced AEP servers for high av...BIOVIA
Enterprise web applications and web services require a highly available and scalable environment. During this session, we’ll demonstrate how Accelrys Enterprise Platform 9 is deployed and configured within a load-balanced environment.
(ATS6-PLAT07) Managing AEP in an enterprise environmentBIOVIA
Accelrys Enterprise Platform use within an Enterprise environment spans from Power users of Pipeline Pilot to web applications and High Performance Computing. Managing the balance between productivity and enterprise policies can be tricky. This session will focus on exposing the tools and processes needed by administrators to enable users to be productive, yet allowing IT to remain in control.
How to get the maximum performance from your AEP server. This will discuss ways to improve execution time of short running jobs and how to properly configure the server depending on the expected number of users as well as the average size and duration of individual jobs. Included will be examples of making use of job pooling, Database connection sharing, and parallel subprotocol tuning. Determining when to make use of cluster, grid, or load balanced configurations along with memory and CPU sizing guidelines will also be discussed.
(ATS6-PLAT05) Security enhancements in AEP 9BIOVIA
In the latest version of the Accelrys Enterprise Platform we have streamlined how permissions are managed and added the capability for packages to define groups and permission sets. In addition, enhancements have been made to File Based Authentication, we have added support for enterprise authentication solutions like Kerberos and SAML and improved the usability of the Administration Portal. This session describes the new features and how to manage them through the Administration Portal.
The Query Service is the new platform solution for querying a variety of data sources. The goal of Query Service is that administrators can configure a metadata description of the data source that can then be used by end users without detailed knowledge of the underlying data source. This session explains how to configure Query Service data sources and use them with the RESTful API or component collection.
(ATS6-PLAT02) Accelrys Catalog and Protocol ValidationBIOVIA
Accelrys Catalog is a powerful new technology for creating an index of the protocols and components within your organization. You will learn about strategies for indexing and how search capabilities can be deployed to professional client and Web Port end users. You will also learn how to use this technology to find out about system usage to aid with system upgrades, server consolidations, and general system maintenance. The protocol validation capability in the admin portal allows administrators to created standard reports on server usage characteristics. You will learn how to report on violations of IT policies (e.g. around security), bad protocol authoring practices, or missing or incomplete protocol documentation. Developers will also learn how to extend and customize the rules used to create these reports.
(ATS6-PLAT01) Chemistry Harmonization: Bringing together the Direct 9 and Pip...BIOVIA
Pipeline Pilot Chemistry 9.0 is inheriting many new chemical representations from the Accelrys Direct data model. These include the support of the Self Contained Sequence Representation (SCSR) biologics, enhanced Markush structure representations, Markush homology groups, and Non Specific Structures (NONS). Also significantly enhanced is the support for Sgroups, in particular for polymers, mixtures, and formulations. Further, Pipeline Pilot depiction has been upgraded to support these enhancements and the stereochemical perception and ring perception capabilities were improved based on Direct.
The major benefit of these changes is that Direct and Pipeline Pilot now use the same data model. Searches carried out in Direct or in Pipeline Pilot will return identical results and both products will deliver identical structural perceptions. This session will give guidance on how these changes will impact your calculators and models and how you can plan for a smooth upgrade.
(ATS6-GS04) Performance Analysis of Accelrys Enterprise Platform 9.0 on IBM’s...BIOVIA
IBM recently completed a benchmarking study of several key modules of the Accelrys Enterprise Platform (AEP) 9.0, using IBM’s iDataPlex and General Parallel File System (GPFS). The results show that the performance of IO intensive workloads, such as Next Generation Sequencing (NGS), can be improved significantly by using GPFS. NGS workloads can also benefit from better load balancing implemented on AEP 9.0. Best practices for scalable IT solutions will also be discussed.
In this session, we will look at how the Accelrys Enterprise Platform facilitates the integration between Contur and HEOS to implement compound registration form Contur into HEOS without leaving the Contur experiment.
This general session will introduce you to Accelrys Tech Summit (ATS6). The welcome overview will discuss what the audience can expect during the Tech Summit as well as how Accelrys plans on following up with some of the key discussion points and topics, and will inform the audience on how they can best leverage the tracks, sessions, and Accelrys employees to make the most of their time.
The Introduction to Scientific Innovation Lifecycle Management will provide the audience with context when attending the different technical sessions on how our solutions and technologies fit together to uniquely address the challenges faced by our customers worldwide and in different industries.
(ATS6-DEV09) Deep Dive into REST and SOAP Integration for Protocol AuthorsBIOVIA
Pipeline Pilot has always had a strong focus on integration to external resources. In AEP 9.0 we continue this tradition with a major overhaul of our SOAP Connector component as well as improved support for RESTful services. In this talk we will look at how to build protocols that access SOAP services especially secured services and review the approach to accessing RESTful services.
(ATS6-DEV08) Integrating Contur ELN with other systems using a RESTful APIBIOVIA
In order to enable easy integration between Contur ELN and other informatics systems a RESTful API has been developed. Data may be extracted from ELN experiments using GET calls, but external applications can also insert results directly into the ELN record. In particular the API can be used with Accelrys Enterprise Platform to create complex flows for resolving scientific problems. Such protocols may be launched from within the ELN client.
(ATS6-DEV07) Building widgets for ELN home pageBIOVIA
From a developer’s perspective, the Accelrys ELN Home Page is a container of widgets. It manages the layout of widgets, and handles the persistence of their settings. Several widgets are provided with the application: one for creating new experiments, another for tracking work in progress, and an inbox widget for messages sent through the notebook. This out-of-the-box set can be supplemented by building custom widgets.
This session will show several custom widgets examples to demonstrate the basic concepts of widget development and the API they implement. We will also discuss best practices, and how to make your widget a good citizen of the Home Page.
(ATS6-DEV06) Using Packages for Protocol, Component, and Application DeliveryBIOVIA
Delivering protocols, components, and applications to users and other developers on an AEP server can be very challenging. Accelrys delivers the majority of its AEP services in the form of packages. This talk will discuss the methods that anyone can use to deliver bundled applications in the form of packages and the benefits of doing so. The discussion will include how to create packages, modifying existing packages, deploying packages to servers, and tools that can be used for ensuring the quality of the packages.
(ATS6-DEV05) Building Interactive Web Applications with the Reporting CollectionBIOVIA
The reporting component collection in AEP provides powerful tools for building user interfaces for web applications, while leveraging the breadth of functionality of AEP for data querying and manipulation. This session will explore some of the tools available for creating web applications using the reporting collection.
(ATS6-DEV04) Building Web MashUp applications that include Accelrys Applicati...BIOVIA
One of the biggest challenges in most corporate environments is providing a way for users to access all the data they need, usually stored in multiple disparate locations, from one interface that they are comfortable with. As web applications have become more popular, RESTful APIs have emerged as the preffered web service format in recent years. Many Accelrys applications now provide RESTful APIs that allow developers to build mashup applications. This session will explore some of these APIs and how to use them to build a simple application.
(ATS6-DEV03) Building an Enterprise Web Solution with AEPBIOVIA
In this session, we'll take a deep dive into building an Enterprise Solution with AEP. We'll be using Pipeline Pilot to develop the protocols that will provide our server-side implementations and ExtJS to build the user interface. We'll look at the techniques involved in using protocols to implement actions and explore the capabilities of ExtJS to produce powerful enterprise applications.
AEP provides a range of options for developing web applications. Understanding these options, their strengths and the decision making process involved in choosing the right strategy is key to leveraging the power of the platform and ensuring you achieve your goals and do so on schedule. From simple reporting protocols developed exclusively using Pipeline Pilot through to Rich Internet Applications built using JavaScript and ExtJS, we'll take a look at the work involved, required skillsets and time considerations to ensure you make the right choice for your project.
1. (ATS4-APP05) What’s New in Isentris
4.0PS1
Matthew Sage, PhD
Advisory Field Applications Scientist, Pre-Sales
matthew.sage@accelrys.com
2. The information on the roadmap and future software development efforts are
intended to outline general product direction and should not be relied on in making
a purchasing decision.
3. Isentris Decision Support
Isentris 4.0SP1
– Notebook IDS, link in other data, use ADS
– Charting/Conditional formatting updates
– SYMYX ELN in the reaction planner added
– Visualization updates
– Grid views
– Reporting
4. Supporting Synthesis Planning with Isentris
Quickly and easily browse reaction data with integration to your ELN
Drill down to availability
Automatic link to from over 860 suppliers
reactant synthesis
Target
Reaction route and data
imported from
Electronic Lab Notebook
Link to online
citations
5. Pipeline Pilot access now available from Isentris
– Pipeline Pilot provides additional functionality
• Structure Clustering (spatial and charted)
• Ring Assembly
• Math, Calculators, SAR tables etc
• Access to any PLP Protocol
• if PLP licensed can create own protocols
• Kinome viewer (custom Protocol example)
6. Agenda
• Basic Maths Accelry Enterprise Platform
Integration will be covered
• Enhanced Chart tomorrow morning in
(ATS4-APP06)
• Virtual Parents
• Structure Handler in Isentris for Excel
• Enhanced LEA Access, incl. Data Export
• New set of Tools
• New Chemical Representation support
• New Support
7. Basic Maths
• Several Math calculators are provided for you
• Cheshire
• Use JavaScript
– arg
– arg1 and arg2
9. Virtual Parents
• The primary goal of Virtual Parents is to gain
performance when there are many fields that we
want to group that are in 1:1 relation with the
root.
• In the past, we used to put them in 1:1 parent
connector
Internally there is no such thing as a 1:1 parent… it is still a
1:many.
Each time you add a field in a dynamic table, Isentris has to
re-fetch all records (using individual selects for each
parent)
<OutputField LENGTH="4000" name=“AlogP" type="VariableText"
This was very slow.
DISPLAY_NAME=“AlogP" virtualParentDisplayName=“PhysChem Results" />
10. Structure Handler in Isentris for Excel
• Improved Isentris for Excel Structure Manager
• On demand loading of Structures, XYData and Images in excel spreadsheet (enhanced performance)
• Support for larger spreadsheets
• Elimination of structure display and printing issues related to rendering
400
350 335
300
250 221
200 Isentris 3.3 (Sec)
174
Isentris 4.0 (Sec)
150
108
100 82
50 54
50 32
8 6 15 12
0
500 1000 3000 5000 10000 20000
Selected Fields: Substance Registry Number, MDL Number, Chemical name and MolStructure
11. Enhanced LEA Access, incl. Data Export
• Summary View
– View of the libraries returned in
a search and all of the
experiments performed on each
library.
– This type of view allows LEA
users to quickly see what type of
data has been returned from the
query including who did it and
when it was done. This saves a
lot of time when poking around
in the large datasets that LEA
produces.
12. Enhanced LEA Access, incl. Data Export
• Flag
– The ability to set flags on LEA data: Invalid,
Questionable, Best, Released, etc.
– These flags can be used to filter data when
browsing.
– Flags can be set at the element OR experiment
level from Isentris.
13. Enhanced LEA Access, incl. Data Export
• Data Export
– Images and XY datasets (as
graph images or as numeric
data) may be exported singly
or in batches
– Can be used out of the
application, in reports or other
applications such as image
analysis or further
manipulation of spectra
14. Additional Tools
• Filter by Name
• Uses Contains() in for Filter by name
• Calendar in Query Form
• Display Name in DSBuilder
15. Direct 8.0 & Draw 4.1 adds new Chemical Representations
• Inherit support for small molecules, biologics, mixtures, reactions, polymers,
and Markush structures from Direct 7
– NONS enhancements
– Markush Homology groups
– Variable attachment group
– pi-systems (haptic bonds)
– Hydrogen bond
– Dative/coordination bond
• Full support for searching and viewing:
– Biologics (SCSR)
– Markush (R Group/S Data)
– Position Uncertainty/Variable attachment
– Non Specific/Generic
17. How to use new Chemical Representation in Isentris
You need to enable this with Direct 80SP1
• Ref to AccelrysDirect_8.0_AdministrationGuide_molecules.pdf
Create index index_name on moltable_name (ctab)
Indextype is c$mdlichem80.mxixmdl parameters (‘option’)
Options:
sequences (small molecules and sequences/biopolymers)
homologygroups (small molecules and homology groups)
generics (small molecules and Markush/generic molecules)
building blocks (small molecules with attachment point data)
molecules (small molecules)
models (3D molecules)
18. Support Matrix
Element Versions
Server OS (mid-tier) Windows Server 2008 R2 (64 bit)
Solaris 10
Red Hat Linux 5
Client OS Windows 7 (32 and 64 bit)
Windows Vista SP2 (32 bit)
Oracle Versions 11.2.0.2, 11.2.0.1, 11.1.0.7
Pipeline Pilot 8.5 CU1, 8.0 CU2 or higher
Direct 8.0SP1, 7.0, 6.3
Draw 4.0, 4.0 SP1, 4.1
Office Office 2010
Office 2007
Tibco Spotfire 3.2
Citrix Presentation Server 6.0
SQL*Express (for Personal Edition) 2008
19. Support for Tibco Spotfire
• Isentris 4.0 supports the “new” Tibco Spotfire
architecture.
• Isentris 4.0 no longer supports Spotfire DecisionSite.
23. Summary
• Isentris 4.0 is bringing calculation on the fly, Enhanced Chart, new
structure handler in Excel, new LEA capabilities, new Tibco Spotfire
integration, virtual parents and support for the new Chemical
Representations provided in Direct 8 and Draw 4.1
• More…
– Learn about the Isentris integration with Accelrys Enterprise Platform in
(ATS4-APP06) Isentris integration with the Accelrys Enterprise Platform
– Learn how to leverage your existing IDS in (ATS4-DEV02) Accelrys Query
Service: Technology and Tools
– (ATS4-DEV03) Accelrys Query Service: Apps and Examples
– Preview Accelrys Insight (ATS4-APP07) Isentris’ IDS technology leveraged in
the AEP to provide Web Based Decision Support