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V E N D O R VoiceInformatics Technologies inan Evolving R&D LandscapeFrank Brown and Matt HahnO              ver the years...
Figure 1:  Use of query services to federate data from multiple systems and create a project “data               mart” tha...
address challenges of infrastructure             for registering, searching, mining, and        medicinal chemistry design...
registration information, and in silico          stakeholders are more likely to be              project participants both...
collaborative atmosphere that existed when        Cloud Collaboration                                consulted. The end re...
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Informatics technologies in an evolving r & d landscape


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Informatics technologies in an evolving r & d landscape

  1. 1. V E N D O R VoiceInformatics Technologies inan Evolving R&D LandscapeFrank Brown and Matt HahnO ver the years, bioprocessing companies have leveraged a host of information technology (IT) to help them bringinnovative new therapies to market. As theneeds of a research and development (R&D)enterprise evolve, however, are suchsystems and applications a help or ahindrance? On one hand, the increasingsophistication of IT solutions — such asthose designed to help users createadvanced molecular models or trackthousands of compounds through the www.photoscomdiscovery process — have enabled newlevels of R&D innovation. On the other hand,at some point the law of diminishing returns has been useful in life-cycle management deploying unified processes is ankicks in as more resources and budgets solutions such as product life-cycle integration and maintenance nightmare.become devoted to maintaining IT management (PLM) and enterprise resource Valuable information can easily become lostinfrastructure (e.g., integrating information planning (ERP) to drive greater efficiencies inside “siloed” systems, equipment, andfrom different systems and databases and and collaboration, process automation, and databases. Moreover, manual informationtraining people to use multiple improved information governance. management can be time-consuming, errorapplications). Although optimizing the innovation life prone, and expensive. Ultimately, organizations focused on cycle may be similar in principle to PLM and Enterprise-level informatics platformsdeveloping new therapies need to be able ERP, the unique requirements of the R&D facilitate data integration, processto extract maximum value from their R&D function — including highly scientific data automation, and information sharingdata without overspending on informatics — makes the optimization process very required for R&D activities such asinfrastructure that’s too cumbersome and different in practice. Companies will need to compound management and modelinginefficient. It’s at this point that R&D decide on the best approach. and simulation. It is vital that a platform beorganizations can learn much from IT able to handle sources and types of R&Dexperiences in manufacturing and supply Reducing the Complexity data. Some PLM and ERP systems offerchain operations. In such environments, IT and Cost of Informatics structured row- and column-based data. In today’s global and data-intensive R&D Other systems include unstructuredProduct Focus:  All biologicals environment, IT infrastructure has become information such as scientific text and two- extraordinarily complex. Modern R&D and three-dimensional models. Any solutionProcess Focus:  Production, enterprises now span multiple locations and should be able to capture and integrateresearch and development areas of specialization, with numerous data, run processes across it, and reportWho Should R ead:  Information departments, disciplinary groups, and even results in a way that makes sense fortechnology, executive individual scientists using sophisticated IT multiple users from different, process engineers systems, applications, and other informatics Service-oriented architecture, cloud tools. Consequently, when it comes time to computing, and Web services have madeK eywords:  Process optimization, streamline R&D from discovery to clinical those solutions possible. Web services can,data managment trials and scale up, the resulting “patchwork for example, support plug-and-playLevel:  Intermediate quilt” that springs out from sharing data or integration of multiple data types and64 BioProcess International 10(6) J une 2012
  2. 2. Figure 1:  Use of query services to federate data from multiple systems and create a project “data mart” that aggregates essential data for a team to make decisions; this data mart is then carried out Chemists can work more closely with for analysis and reporting. IT sets up the query services to build the data mart, then scientists can sourcing experts to ensure that compounds build their own reports and perform their own analysis without a large IT presence. in development are viable candidates for large-scale production. External Public Literature, Patents In addition, processes that were Data Competitive Intel previously disjointed (because critical data Office, SharePoint Experimental Unified Registration, were locked within isolated databases and Data LEA, LIMS, Repositories ELN — Experiments proprietary systems) can be streamlined Accelrys Inventory, Summary Query and automated. Because information access Legacy Project Web Data Warehouse, Services is available, “nonexperts” also can take Corporate Data Team Data Marts Data Mart better advantage of sophisticated R&D Molecular and Biologics Simulations Design, ADMET Isentris knowledge (e.g., predictive modeling and Data Formulations Design analytics) that they may have been unable Unstructured Documents, to use before without expert help. Reports Data Registration Moreover, R&D technologies leveraged throughout an organization are much easier and less costly for IT to manage and formats without requiring customized (and A holistic informatics infrastructure that maintain because manual, hand-coded expensive) IT intervention. Moreover, encompasses the needs of an entire R&D integration is no longer required. The result processes such as analysis and reporting enterprise offers time, cost, and efficiency is that more resources can be devoted to steps can be broken into “parts” that can be benefits. Regardless of where or how high-value information analysis and less on put together in different ways depending information is generated, it can be used by the “care and feeding” of IT infrastructure. on a person’s specific requirements. numerous contributors across the Because those parts can function innovation life cycle, enhancing Enterprise Informatics independently from their source system or collaboration and speeding cycle times. in Action application, they can be used to create Toxicologists can make their history of assay Accelrys has developed an enterprise R&D automated workflows that cross results available to chemists investigating architecture built on the open services- departmental or disciplinary boundaries. new lead compounds, for example. based Pipeline Pilot informatics platform to13th Annual LEADERSHIP IN FOLLOW-ON INNOVATION September 10-12, 2012 Hilton Boston Back Bay | Boston, MA Compete with Established Products Design Profitable Partnerships Enter New Markets Assure biosimilar approval through better understanding of recent FDA guidelines Capitalize on new markets by learning from every sector of the follow-on biopharma industry SPECIAL KEYNOTE ANALYSIS OF THE BIGGEST NEWS IN THE INDUSTRY Revolutionize your pipelines through state-of-the-art strategic partnerships for product development Think Different: Navigating the Brave New Globalized Life Maximize your profits by improving physician Science Industry and patient uptake of your product class G. Steven Burrill | CEO | BURRILL & COMPANY
  3. 3. address challenges of infrastructure for registering, searching, mining, and medicinal chemistry design cycle and usedcomplexity, data overload, and disjointed analyzing information about chemical Accelrys technology to power anprocesses. Rather than trapping information structures and reactions, chemically underlying informatics foundation. Thein “silos,” the platform enables integration modified sequences, biological entities goal was to decrease the time required toof diverse systems, applications, and data and associated data such as inventory, capture, manage, integrate, and analyzesources. It supports a collection of tools for assay, and experimental results. Users data related to both real compounds thatmanipulating and analyzing complex have real-time access to pertinent had already been synthesized, as well asinformation, including advanced chemistry, chemical and biological information and information connected to designbiology, and materials science. The end-to- an integrated environment for data hypotheses associated with virtualend, enterprise-level approach analysis and reporting, with reduced IT compounds. The organization also sought • enables scientists, engineers, and other overhead and management of multiple to improve collaboration and decision-R&D project stakeholders to easily access, vendor relationships. The solution can making through automated projectanalyze, report, and share data across serve as a solid infrastructure foundation workflows and communication spanningdepartments and disciplines that companies can build on over time. A hypotheses creation and compound • frees IT from manually supporting company’s IT staff can take a brick-by- design, on through to synthesis, testing,varied requirements of multiple information brick approach to addressing informatics analysis and further design.consumers demands, plugging new tools into the Accelrys’ Pipeline Pilot platform was • allows an organization to extract framework as needed. The enterprise used to automate the extraction,maximum value from the many sources of scale of the platform lowers the transformation, and loading of data frominnovation knowledge, both internal (e.g., complexity of IT architecture to ease multiple sources into project-specific datadata from experiments, modeling, and overall total cost of ownership, planning, marts that can then be leveraged for “onesimulation) and external (e.g., publicly and investment decisions. stop shopping” analysis and decision-available databases or published literature). Example: One leading global making. The types of data were varied and The Cheminformatics suite is a key pharmaceutical research company has included primary asset data, in vitrocomponent of the enterprise R&D benefited from more holistic and absorption, distribution, metabolism,architecture and a first step toward integrated informatics (1). The organization excretion, and toxicity (ADMET) data,innovation life-cycle management. It wanted to unify data analysis and precalculated molecular property data, inprovides end users with a unified solution collaboration activities throughout its vivo ADME endpoint data, compound BioProcess TM I N T E R N A T I O N A LPOSTER HALL 2011-20122102-1102 LLAH RETSOP2102-1102 LLAH RETSOP A CompilAtion of proCess teChnologies And expertise presented in poster formAt AvAilAble At:
  4. 4. registration information, and in silico stakeholders are more likely to be project participants both inside and model calculations for both real and communicating across time zones and outside their organizational boundaries. virtual compounds. In addition to data continents than across a conference table or Here again, the principles of life-cycle integration, automated protocols were laboratory bench. Increasingly, project management apply. Software solutions for also used to facilitate analysis, register participants no longer all work under the PLM, ERP, and supply-chain management new molecules, and determine compound same corporate umbrella. (SCM) are all about driving efficiencies and uniqueness. Biopharmaceutical development can bringing governance to complex networks In this particular case, the underlying involve a host of contributors, including big involving numerous moving parts and platform interoperated with several diverse brand names, smaller specialized participants. There are some key practical third-party and legacy systems that project companies, academic institutions, and differences between these solutions and teams used throughout the discovery government entities. the needs of R&D, however. Innovation is process for analysis and reporting. However, This is the realization of a concept not like a just-in-time supply chain. It the evolution of the enterprise R&D known as open innovation. Instead of doing depends on free-form interactions, includes architecture, including the release of the everything in-house, organizations are processes that are constantly evolving, and latest version of the Cheminformatics suite, looking for ways to expand the scope, resists too much structure. enables users to take advantage of a host of accelerate the speed, and increase the That’s why smaller organizations are built-in analysis, modeling, and reporting quality of their efforts by collaborating often hotbeds of creativity and innovation. tools. This doesn’t preclude IT from also more extensively with external partners It’s easy for stakeholders to kick ideas plugging in other applications and systems, and sharing knowledge and expertise for around at a company lunch table or visit a but it does help the company move closer their mutual benefit. For example, scientists colleague across the hall. But when the to a single vendor and R&D architecture in far-flung locations, niche experts, or project manager is in Boston, the lead that is easy to maintain and manage. contract research providers who can more chemist works for contract research inexpensively run assays or make organization in Beijing, and manufacturing Facilitating compounds may all contribute to a single is set up in India, the level of fluid “Open Innovation” project. To practice efficient and cost- communication and open dialogue What happens when the innovation life effective open innovation, companies must required for open innovation is not so cycle extends beyond a single organization? consider how best to leverage their simple. Today’s R&D organizations need, In this era of globalization, R&D informatics infrastructure to accommodate therefore, to be able to recreate the open,The Parenteral Drug Association presents the... Hurry! Largest2012 PDA/FDA Joint registration savings deadline ends onRegulatory Conference June 28th!Compliance through Quality Systems: Implementing Immediately& Advancing a Sustainable Global Quality Culture following the conference PDA will be hostingSeptember 10-12, 2012 | Baltimore Marriott Waterfront Hotel | Baltimore, Maryland the 2012 PDA ICH Q10 Workshop: ExpectationsThe 2012 PDA/FDA Joint Regulatory Conference offers the unique opportunity for you to join FDA of Operations & Executiverepresentatives and industry experts in face-to-face dialogues. Each year, FDA speakers provide Management onupdates on the current state of efforts impacting the development of global regulatory strategies; September 12-13,while industry professionals from some of today’s leading pharmaceutical companies present case 2012.studies on how they employ global strategies in their daily processes.Topics include:• Risk management and quality risk • Quality by design (QbD) • Innovation and collaboration with the goal management systems • Science-based decision making of advancing the industry and impacting• Quality systems • Design space public health on a global scaleAdditionally, PDA’s Training and Research Institute (PDA TRI) will be hosting six stand alone training courses on-site on September 13-14. Visit for more information and to register. Exhibition: September 10-11 | Post-Conference Workshop: September 12-13 | Courses: September 13-14
  5. 5. collaborative atmosphere that existed when Cloud Collaboration consulted. The end result was a compoundproject participants were in the same in Action that today shows great promise inbuilding, but on a scale that embraces the Cloud-based technologies are now making addressing a disease that hasn’t seen a newbreadth and complexity of a global market. open innovation among numerous partners treatment in decades. The advent of cloud computing is a reality with minimal IT overhead and The case of the neglected diseasesfacilitating global collaboration. By enabling effort. An excellent example is the use of technology deployment demonstrates thatorganizations to run applications, platforms, the SCYNEXIS Hit Explorer Operating complex data can be stored securely andeven underlying IT infrastructure as a System (HEOS) software in conjunction with shared globally on a thin client. However,service accessed through a Web browser, Accelrys’ Cheminformatics suite to the real takeaway is that improved globalthis computing paradigm is fundamentally empower a variety of diverse contributors collaboration in cloud computing ischanging how data are stored, shared, and and sites working on the Drugs for powering the kind of open innovation thatmanaged. Many of us use cloud computing Neglected Diseases initiative (DNDi) (2). The represents the next evolution of R&D. In theon a regular basis without even thinking HEOS system, supported by Enterprise R&D years ahead, the scope and scale of R&Dabout it; e.g., when we check a Gmail architecture, is a cloud-based, software-as- enterprises are only going to get broader.account, or share photos on a site such as a-service (SaaS) workspace that supports The organizations best equipped toFlickr. Instead of installing another e-mail real-time data sharing among multiple succeed in this complex, global, andapplication on our hard drive, we use organizations engaged in collaborative multilayered landscape will be those that,Google’s; instead of copying photos to a drug discovery. like their counterparts in manufacturing,disk and mailing them to friends and In the case of DNDi, the technology has start laying the groundwork for a morerelatives, we send a Web link. Apply this enabled some breakthroughs in the holistic, streamlined, flexible, and opensame concept to open innovation, and the research and development of better informatics infrastructure today. Cloudcloud becomes an ideal forum for project treatments for underfunded yet devastating computing, service-oriented architecture,stakeholders to interact and share ideas diseases such as malaria, Chagas, and Web services can facilitateregardless of where they are located, the schistosomiasis, and African manipulation of highly scientificorganization they are with, or how much trypanosomiasis (sleeping sickness) that information and innovative life-cycledata are involved. affect millions of people in the developing management that streamlines R&D. An For example, suppose a pharmaceutical world. Using the HEOS and Accelrys ability to focus on high-value analysis andcompany is working with a contract solutions, researchers from Brazil, the Ivory minimize resources that go into dataresearch organization on a drug discovery Coast, the Philippines, South Africa, integration and systems maintenance willproject. It could install its legacy IT systems Zimbabwe, and many other countries have ultimately enable faster and cheaper time-at the outsourcer’s site to exchange and been able to come together in a vibrant to-innovation. And an ability to bring allanalyze data. But this is costly and highly virtual community to contribute their valued contributors to the table, whetherinefficient because systems must be insights and expertise to this important across the hall or on the other side of themaintained both within the organization’s project. Regardless of their physical world, will drive more extraordinary andinternal IT infrastructure as well as at the location, disciplinary focus, experience, or groundbreaking discoveries.CRO site. The redundancies multiply as cultural background, participants canmore departments, locations, and partners exchange and analyze complex biological Referencesthat are included. By contrast, cloud and chemical data, assay results, 1 Brodney MD, et al. Project-Focusedcomputing is simple to access from computation and visual simulations, and Activity and Knowledge Tracker: A Unified Datanumerous global sites. It’s also infinitely more. The group as a whole can investigate Analysis, Collaboration, and Workflow Tool forscalable, capable of accommodating more and test a wider diversity of compounds Medicinal Chemistry Project Teams. J. Chem. and more participants as a project’s and therapies, which can greatly speed R&D Model. 49(12) 2009: 2639–2649.needs expand. The end result is less efforts. 2 Bost F, Jacobs RT, Kowalczyk P. Informaticsinfrastructure and more analysis. One initiative spearheaded by DNDi for Neglected Diseases Collaborations. Drug Cloud-based collaboration also can against an endemic disease ultimately Discovery Devel. 13, 2010: 286–296. •support a more open and vibrant CRO included multiple levels of collaborationmarket. When it’s easier to pass information between volunteers from large pharma and Frank Brown, PhD, is executive director atback and forth between partners, biotech companies, contract research Merck and former executive vice president andorganizations can quickly bring in CRO organizations, and academia. The biotech CSO and Accelrys. Corresponding author Mattexpertise needed for even a single screen or company that provided the initial Hahn, PhD, is senior vice president and CTO attest. This is especially compelling for smaller compounds managed the initiative, tracked Accelrys; companies that can leverage the in vivo studies performed by a US university,cloud to manage projects and optimize and brought on a CRO that would confirmintellectual property without having to the most promising leads through high-increase internal headcount for basic throughput testing. As the projectresearch and IT services. Thus, small continued, several ADME, safety, andcompanies can compete more aggressively pharmacokinetic teams got involved, andwith bigger players. additional peer organizations were J une 2012 10(6) BioProcess International 69