Transitioning to Symyx

Transcription

1 Whitepaper Transitioning to Symyx Notebook by Accelrys from Third-Party Electronic Lab Notebooks Ordinarily in a market with strong growth, vendors do not focus on competitive displacement of competitor products when the initial investment has been high and the transition entails significant cost and risk. However, Accelrys has been approached by several large customers who have non- Accelrys ELNs deployed in R&D, who feel they need to investigate an alternative ELN and want to understand what it would take to transition to Symyx Notebook by Accelrys. While the scientists experience with the competitor ELN has been satisfactory, DBAs, administrators, and research IT have expended significant efforts to maintain the satisfactory experience during upgrades and extensions. The IT groups are concerned that they cannot sustain the level of support for their scientific communities and they need a longer term strategy beyond tactical responses. This white paper provides recommendations and highlights tools and services provided by Accelrys to support a transition to Symyx Notebook by Accelrys. Summary Accelrys has extensive experience transitioning our customers legacy ELNs (often acquired through merger activity) to the latest Symyx Notebook by Accelrys environment. Through partnerships with customers, Accelrys has trained resources and developed infrastructure and tools to facilitate and reduce the effort for ELN transitions. This experience and these tools can now support customer transitions from third-party ELNs to Symyx Notebook by Accelrys. Refer to Appendix A for details on the benefits of Symyx Notebook by Accelrys and the advantages of migrating to the Accelrys notebook. 1

2 Symyx Notebook by Accelrys includes an add-on Symyx Notebook Browser that provides two additional pieces of functionality: A web browser user interface to notebook repositories and a web service. The web service is core to supporting notebook transitions to Symyx Notebook by Accelrys. The web service enables scientists to search over multiple Notebook repositories and archives, providing a portal into all ELN experiments and a means to clone legacy experiments into the Symyx Notebook by Accelrys format. A successful transition to Symyx Notebook by Accelrys requires an analysis of the existing third-party notebook environment, an assessment of business needs, and a mutually agreed upon transition strategy. Accelrys consulting services offer significant experience for migrating data from other notebook data models. Accelrys consulting is available now for initial site transition assessment and execution. 1.0 Transition strategy A successful ELN transition involves two main activities: data migration and user migration. 1.1 ELN Data Migration There are two approaches to migrating existing ELN data during a notebook transition. The first approach requires publishing all existing experiments to PDF and either electronically archiving or printing hard copies of the experiments for long-term physical storage and traceability. This existing data is subsequently migrated into the new Symyx Notebook by Accelrys data model. The second approach leaves the legacy ELN data in situ and provides a tool to search simultaneously over the legacy ELN archives and the Accelrys ELN repository. With this strategy, scientists retain access to all previous experimental information. The search tool also enables the automatic conversion of legacy experiments into the new format based on need at runtime preserving the ELN s value in capturing IP and enabling scientists to access, share, and re-use IP through the transition. Accelrys recommends the second approach of leaving the data in situ and providing simultaneous data access and conversion. This approach better supports a phased transition where two ELNs may coexist in different departments while the migration occurs. In this approach only the data that needs to be moved is moved, and the scientist has an opportunity to review the data as it is migrated into the new format. 1.2 ELN User Migration ELN migration is a long-term project that can occur over many months or years. Breadth and depth of deployment along with customization will impact the duration of the transition. For this reason, Accelrys recommends a phased approach where each stage is evaluated as the project moves forward through the user community. 2

3 Organizations will typically transition scientists to the new ELN based on a careful assessment of business pain versus potential impact on priority projects. Accelrys recommends beginning the transition by taking some existing notebook super-users and having these scientists work with a new group of scientists who have not yet had the legacy notebook deployed (if available). If no rollouts to new ELN users are planned, then focus first on transitioning existing legacy ELN users who are working on low-risk projects that will not adversely impact corporate business goals. Based on lessons learned during this initial migration, you can then widen the transition to scientists working on higher priority projects where the legacy ELN has been deployed. 2.0 Transition Planning The transition plan requires a close partnership between the customer and Accelrys consulting services. An initial onsite visit enables Accelrys consulting services to understand the existing system and the complexities resulting from data model customizations and other extensions deployed with the legacy notebook. Based on this assessment, Accelrys consulting can provide a gap analysis of functional needs, value-added benefits of a notebook transition, and a recommended technical approach to the transition. After the customer has validated this initial assessment, the next phase is a parallel project providing a proof-of-concept environment with Symyx Notebook by Accelrys and the legacy ELN along with a business assessment prioritizing the various ELN user communities as roll-out candidates. Upon completion of the proposed roll-out plan and delivery of the proof-of-concept environment, Accelrys consulting services and the customer conduct a targeted evaluation with the first user community recommended for transition. At the end of this trial evaluation, the customer can assess its experiences and decide whether there is justification for a transition to Symyx Notebook by Accelrys. Figure 1: The recommended sequence of events for committing to a full ELN transition to Symyx Notebook by Accelrys. 3

4 3.0 Transition tools Symyx Notebook Browser is a key tool that is core to Accelrys notebook transition strategy. The browser is an easy-to-deploy web application that provides read-only access to experiments in multiple ELN repositories. Using the browser, scientists can search experimental content by text, chemical structures, numeric values, document titles, project names and material names. Likewise, they can browse summary information from all experiments stored in different ELN repositories. This capability is important during the transition phase when scientists are using two different ELN platforms. Figure 2: Symyx Notebook Browser enables scientists to select the ELN repositories to search over while also defining simple and complex searches for retrieving relevant experiments. Figure 3: Symyx Notebook Browser web service enables scientists to browse experiments in multiple ELN repositories. Scientists can compare and contrast summary data and then drill down to the experiment details. Legacy experiments can be opened as a PDF or the legacy data can be used to create new experiments in Symyx Notebook by Accelrys. 4

5 Symyx Notebook Browser has helped customers transition from legacy Symyx Process Notebook and Formulation Notebook to the current Symyx Notebook by Accelrys. In addition, through web services and the notebook API, the browser can also connect to third-party notebook repositories supporting ELN transitions from third-party ELN providers. Prior to integrating notebook experiments into Symyx Notebook Browser, Accelrys consulting must review the existing notebook installation. Most notebook installations are unique, as they typically involve specific data model modifications, data mapping, and extensive customization to meet the needs of client applications and workflows. During an onsite visit, Accelrys consulting will ascertain the entity-relationship diagram (ERD) for the specific customer data model and use this information to enable a single search over the Accelrys ELN and the legacy ELN repositories. In addition, the onsite visit enables Accelrys consulting to analyze existing notebook templates and define proposed mappings for transitioning the legacy templates into equivalent Accelrys ELN sections. Through this latter analysis, Accelrys consulting can also scope the work required to create equivalent Accelrys ELN templates to receive legacy notebook data. Finally, Consulting can create a parser that enables scientists to automatically clone legacy notebook experiments in situ within Symyx Notebook by Accelrys at runtime, thereby rapidly starting a new experiment using captured legacy experiment details. Figure 4: Symyx Notebook provides a user interface, technology, and API permitting scientists to clone information from legacy experiments into new Accelrys ELN documents. Information is extracted from the legacy repository as XML, and then parsed into the new Symyx Notebook by Accelrys document. 5

6 4.0 Three-Phase Technical Transition The recommended IT transition plan focuses on the scientists experience and the initial agreed-upon rollout priorities for the different scientist communities. The goal is to ensure that scientists: Have an ELN at all times Can access all existing information Are not required to use two ELNs at any time During Phase 1, the Accelrys ELN is first installed in parallel with the legacy notebook, ideally within a user community that has not been previously exposed to the legacy notebook. Using this roll-out approach, the site and Accelrys consulting can deliver added value by collaboratively building the infrastructure, understanding, and extensions needed to support scientists transitioning from an existing notebook to Symyx Notebook by Accelrys. At this point in time, the two systems are not connected. During Phase 2, the first group of scientists is migrated to the Accelrys notebook. In this phase, Accelrys Services creates connectors to the legacy notebook repository using the Symyx Notebook Browser web service. Once the connectors are in place, scientists can access experiments using one application Symyx Notebook by Accelrys. Accelrys consulting then develops parsers and section templates for converting legacy notebook experimental data for use in the Accelrys ELN. Scientists who have been migrated have READ access to both ELN repositories, but only WRITE capabilities to the Accelrys ELN. Throughout Phase 2, scientists should only have one notebook installed on their desktop. Phase 3 completes the migration of all scientists from the legacy notebook to Symyx Notebook by Accelrys. All scientists have READ access only to the legacy notebook repository, thereby protecting archived data. In addition, the legacy notebook desktop clients and middle-tier legacy notebook are removed. All access to the legacy notebook repository occurs through Symyx Notebook, which should assist in eliminating the need to maintain licenses to multiple ELNs. 6

7 Phase 1 Deploy Symyx Notebook by Accelrys to new groups Figure 5a: Ideally, Phase 1 starts with deployment to a new community of ELN users who have yet to receive the legacy notebook. The two systems run in parallel. Experience gained in the initial deployment is used to improve the experience of ELN users transitioning from the legacy notebook in the next phase. Phase 2 Implement hybrid access with staged transitions to Symyx Notebook by Accelrys Figure 5b: Phase 2 focuses on completely transitioning a group of legacy notebook users to Symyx Notebook by Accelrys. At this point, transitioned users have only one ELN on their desktops Symyx Notebook by Accelrys. Other ELN users continue to use the legacy notebook system. Both environments co-exist during the transition. Scientists who have transitioned to Symyx Notebook by Accelrys are still able to access all their old experiments captured in the legacy notebook within Symyx Notebook. As and when needed, the scientists can transition legacy experimental information into new experiments in Symyx Notebook by Accelrys. 7

8 Phase 3 Access data from multiple ELNs through one UI Symyx Notebook by Accelrys Figure 5c: Phase 3 completes the migration of all notebook users desktops to Symyx Notebook by Accelrys. The notebook legacy database is left in place to ensure full traceability. Leveraging Symyx Notebook Browser web services, all scientists can access and re-use all experimental information across their legacy and newly deployed Accelrys ELN repositories. 5.0 Accelrys Experience in Transitioning ELNs Accelrys consulting services have extensive experience in data migration and application transition support as a result of legacy notebook and other cheminformatics projects contracted by our customers. Specifically, Accelrys consulting has collaborated with a top-ten Pharma non-accelrys notebook customer to improve the utilization of reaction information captured in the non-accelrys notebook delivering a world-first reaction planning capability. Today, Symyx Notebook by Accelrys stores chemical reactions in an open and highly accessible format that can be searched out-of-the-box within the notebook or through applications like Accelrys Isentris. Using Isentris, Accelrys ELN customers can perform single simultaneous searches over reactions stored in internal reaction registration systems, in Symyx Notebook by Accelrys, and in Accelrys reaction databases. Scientists can use extensive reaction search techniques including Markush, reaction mapping, and reaction transformation searching to quickly find the best reactions and synthesis pathways from all reaction sources. In addition, the Isentris Reaction Planner accelerates route selection by enabling on-the-fly look-ups and alerts for information such as commercial reagent availability, toxicity, bioactivity, and physicochemical property information. 8

9 Figure 6: With the Isentris Reaction Planner, scientists can rapidly build synthesis routes from all available reactions including reactions captured through legacy, non-accelrys notebooks. The planner automatically looks for known precursor reaction steps as well as commercial availability of compounds to help scientists pick the fastest, safest, lowest risk, and most cost-effective synthesis routes. Building on a careful analysis of legacy notebook data models and chemistry capabilities, Accelrys consulting services can now provide scientists using multiple notebooks with a single notebook that offers industry-leading Accelrys cheminformatics and powerful Isentris searching over all reaction information including reactions captured through legacy notebooks and commercial reaction databases such as ChemInform and SPRESI. Accelrys commercial content accelerates synthesis planning with an additional six million curated and tested chemical reactions from the public literature. 6.0 Summary An ELN transition should not be undertaken lightly. The business value of the transition must be carefully weighed against the cost. Once the commitment has been made to transition, a phased approach is most appropriate for this potentially long-term project that can take months or years to complete depending on the legacy infrastructure. Key to a successful transition is selecting a vendor with the right ELN, the right transition experience, and the right tools. Finally, it is essential to select a vendor who is willing to partner with you to ensure minimum risk and maximum benefit at the right cost. 9

10 APPENDIX A: Exploring the Transition Opportunity with a Solid Partner The latest Accelrys ELN platform was re-architected and released at the beginning of 2008 based on experience gained in over 14 years delivering ELNs. The primary focus was a platform supporting multiple scientific disciplines with a single enterprise notebook that was more than just a paperless ELN. The latest platform supports an integrated lab connecting workflows, instruments, scientists, and information. For instance, the notebook captures full reaction chemistry including reaction transformations using the industry-leading Accelrys chemistry cartridge. The notebook is fully searchable using highly valued techniques such as reaction mapping and transformation searching. A transition to Symyx Notebook by Accelrys offers several advantages for different target audiences including the following (as identified by current Accelrys ELN customers): Better access and re-use of information captured in the ELN Enhanced support, scalability, and cost of ownership Improved enterprise collaboration Long-term security and stability for an enterprise-critical application Better access and re-use of information The open ELN data model makes it possible for multiple integrated applications to retrieve and utilize captured experimental information. Using tools like Accelrys Pipeline Pilot, sites can create real-time dashboards tracking project and experiment metrics, or use Pipeline Pilot to rapidly extract and compile information for critical IND submissions and other reports. Meanwhile tools like Accelrys Isentris give scientists out-of-the-box functionality for rapidly exploring both proprietary reactions (captured in the ELN) and reactions listed in commercially available databases provided by Accelrys. In this way, scientists can quickly select optimal single- and multi-step reaction schemes from several sources of reaction information. Enhanced support, scalability, and cost of ownership Symyx Notebook by Accelrys was designed to minimize the need for expensive customizations via development code. The use of hierarchical templates and sections enables notebook components to be either customized or configured through scripting. Required notebook functionality can be delivered once and then re-used many times. The fully documented API enables in-house, third-party, or Accelrys consulting services to support specific customer needs. Furthermore, newly added Accelrys Pipeline Pilot capabilities enable developers to extend the ELN with a large collection of scientific capabilities. Pipeline Pilot also provides an intuitive development environment for extending notebook functionality with minimal coding. 10

11 By minimizing the need for customizations and delivering Symyx Notebook by Accelrys on a fully supported, forward-compatible code stream, Accelrys reduces risk in upgrading to newer versions of the notebook while also minimizing unforeseen costs. 98% consulting services satisfaction and 89% customer support satisfaction also ensure rapid return on investment, timely assistance, and low risk for customers. Figure A-2: Symyx Notebook by Accelrys facilitates the coordination of experimental work. Different scientists can share and work on a single experiment in parallel to improve process efficiency. 11

12 Improved enterprise collaboration Symyx Notebook by Accelrys has been designed to support multiple scientific disciplines working at every stage of the product life cycle. The notebook has been deployed to R&D scientists involved in small and large molecule research where getting the highest quality products to market quickly and at the lowest cost is of paramount importance. Using a single, centrally deployed and managed ELN, scientists are much better positioned to coordinate work within and between diverse project groups. Domain-specific configurations and capabilities improve the productivity of individual scientists, while deploying a single ELN across different domains and departments facilitates information flow, technology transfer, and experimentation coordination for improved process efficiency. Capturing methods, procedures, recipes, and SOPs in a single, centralized ELN database facilitates knowledge retention and technology transfer within organizations. Scientists in process, formulations, and analytical development all have equal access to R&D information repositories where they can gain valuable insight into the process and product design space facilitating the scale-up and delivery of products to market in compliant environments. Long-term security and stability for an enterprise-critical application Accelrys, Inc. is the largest scientific informatics provider in the world. The company is stable and debtfree with over 150M USD targeted for continued growth and expansion to ensure a secure future for the Accelrys ELN. To learn more about Symyx Notebook by Accelrys, go to accelrys.com/eln 2010 Accelrys Software Inc. All brands or product names may be trademarks of their respective holders. WP