Bio IT World Expo 2016  
Bio IT World Expo 2016
Archived Content

Drug Discovery Informatics 

Final Agenda


7:00 am Workshop Registration and Morning Coffee

8:00 am - 4:00 pm Pre-Conference Workshops*

*Separate Registration Required

2:00 - 7:00 pm Main Conference Registration

4:00 Event Chairperson's Opening Remarks

Cindy Crowninshield, RD, LDN, Conference Director, Cambridge Healthtech Institute

4:05 Keynote Introduction

Sanjay Joshi, Solutions Architect, Life Sciences, EMC Isilon Storage Division



Martin LeachMartin Leach, Ph.D., CIO, Broad Institute of MIT and Harvard


Jill MesirovJill P. Mesirov, Ph.D., Associate Director and Chief Informatics Officer; Director, Computational Biology and Bioinformatics, Broad Institute of MIT and Harvard


Hitachi Data Systems5:00 - 7:00 Welcome Reception in the Exhibit Hall with Poster Viewing

Drop off a business card at the CHI Sales booth for a chance to win 1 of 2 iPod touches® or 1 of 2 Xbox 360s®*!

*Apple® is not a sponsor or participant in this program




7:00 am Registration and Morning Coffee

7:55 Chairperson's Opening Remarks

Phillips Kuhl, Co-Founder and President, Cambridge Healthtech Institute

8:00 Keynote Introduction

Bas Burger, President, Global Commerce, BT Global Services



Eric PerakslisEric D. Perakslis, Ph.D., CIO and Chief Scientist of Informatics, U.S. Food and Drug Administration


8:45 Benjamin Franklin Award & Laureate Presentation

9:10 Best Practices Award Program

Cycle Computing small9:45 Coffee Break in the Exhibit Hall with Poster Viewing


Collaborative Drug Discovery 

10:50 Chairperson's Remarks

Yuriy Gankin, Ph.D., CSO, GGA Software Services

11:00 Introducing eTRIKS: European Translational Information & Knowledge Management Services

Anthony Rowe, Ph.D., Principal Scientist - External Innovation, R&D IT, Janssen

Pre-competitive translational research projects in drug development are highly complex, typically involving virtual organizations, challenging science and research data of many different modalities. The eTRIKS project aims to provide and knowledge management services for such projects that has been designed to meet both the needs of the pharmaceutical industry and academia.

11:30 Library Enhancement through the Wisdom of Crowds

Dimitris Agrafiotis, Ph.D., Vice President, Informatics & Research & Early Development, Johnson & Johnson Pharmaceutical R&D

Motivated by a desire to tap into the collective experience of our global medicinal chemistry community, we developed a novel approach for enhancing the diversity of a chemical library involving the application of chemoinformatics techniques followed by community voting to select the most appropriate chemotypes. The solution was deployed as a plugin to 3DX, a powerful data analysis and visualization platform used by more than 1,000 scientists across J&J to support discovery, clinical, and translational research.

Accelrys 12:00 pm Changing the Landscape of Laboratory Informatics Systems to Enhance Innovation Life Cycle Management (ILM)Dominic John, Ph.D., Product Marketing Director, Accelrys
Robert Brown, Ph.D., Senior Director, Product Marketing, Accelrys
Today’s  R&D stakeholders driving innovation need to execute efficiently in  globally distributed project teams.  This talk discusses an easy to deploy enterprise-level informatics environment for innovation lifecycle management that allows secure collaboration across global, heterogeneous research teams. New capabilities enable distributed teams to deliver significant productivity enhancements to orchestrate, document , manage and accelerate the innovation lifecycle.  

Open Eye Scientific12:30 Luncheon Presentation:
The Art of Chemistry:Visualizing Chemical Information

Krisztina Boda, Ph.D., Senior Scientific Developer, OpenEye Scientific Software

The 2D representation of molecular structures has evolved over the centuries along with our knowledge of chemistry and it is still considered to be the "natural language" of chemists. Grapheme TK, a depiction toolkit, provides a novel way to represent information by visualizing complex molecular interactions and projecting 3D information into a 2D layout that is instantly understandable.

Translational Drug Discovery From Diverse Data 

1:40 Chairperson's Remarks

Yuriy Gankin, Ph.D., CSO, GGA Software Services

1:45 Integrating Genomic Data from the Bench & Bedside – Challenges and Opportunities for Advancing the Quality of Care and Improving Treatment Outcomes

Guna Rajagopal, Ph.D., Executive Director, Bioinformatics, Cancer Institute of New Jersey; Adjunct Professor, Radiation Oncology, Robert Wood Johnson Medical School

This presentation will describe ongoing activities of a consortium of academic, government and pharmaceutical industry partners working to address and overcome the many challenges and barriers that impede translational cancer research, especially existing impediments to the flow of data to/from the bench and bedside, in order to develop personalized cancer therapies.

2:15 Cheminformatic/Bioinformatic Analysis of Large Corporate Databases: Application to Drug Repurposing

Raul Rodriguez-Esteban, Ph.D., Senior Scientist, Computational Biology, Boehringer Ingelheim, Inc.

By using knowledge-driven systems in the form of large data stores and applying rational in silico experimental design, researchers have generated workflows that are capable of identifying novel uses for drugs that span the therapeutic pipeline and beyond. Both broadly accessible data, such as Medline and Chembank, in addition to internal proprietary data of the company in the form of gene chip experiments, compound screening databases, and clinical trial information play an important role in the success of drug repositioning.

IDBS logo small2:45 Science at the Bench and the Bedside: Less of a Tightrope, More of a Super Highway

Robin Munro, Ph.D., Director, Translational Medicine Solutions, IDBS

Bench to Bedside R&D has become an information science. Increasingly diverse and distributed research and clinical communities are wrestling with higher volumes of highly context-rich data. All researchers in scientific, pre-clinical, clinical and 'real-world' domains expect - and should have - real-time access to scientifically aware, context-rich secured information, delivered in an integrated way to mobile and tethered platforms.

Wingu small logo3:00 Boosting Distributed Research & Outsourcing: A Framework for Drug Discovery Decision Support

Nick Encina, CEO & Co-Founder, Wingu

Pharmaceutical companies continue to distribute costs, risks, and opportunities through outsourcing, but the lack of coordination between R&D centers keeps companies mired in inefficient and costly development cycles. The good news is that a technological underpinning for drug discovery is emerging that overcomes the drawbacks of existing tools and processes and that is extensible and customizable to meet evolving needs.

3:15 Refreshment Break in the Exhibit Hall with Poster Viewing

3:45 Leveraging Electronic Health Records for Drug Discovery

Lixia Yao, Ph.D., Investigator, Computational Biology, Quantitative Sciences, GlaxoSmithKline

Pushed by legal mandates, EHR systems have seen increasing adoption of standards, improved medical vocabularies and enhancements in technical infrastructure for data sharing across healthcare providers. This presentation will cover specific applications of EHRs in a drug discovery context, such as finding novel relationships between diseases, re-evaluating drug usage, etc.

4:15 Bruton's Tyrosine Kinase from Bench to Bedside: Covalently Silencing B Cells with AVL-292

Juswinder Singh, Ph.D., Founder & CSO, Avila Therapeutics, Inc.

Thomson Reuters4:45 Enabling Better Data Interpretation through Content Mashup

Andreas Matern, Vice President, Disruptive Innovation, IP & Science, Thomson Reuters 

Life sciences organizations face information overload and are challenged with obtaining proper interpretation of data to achieve actionable results. Accessing content, both public as well as private, through programmatic means can lead to true insights. We will discuss how public and private content can be consumed through a variety of technological means, enabling better, faster decision making.

5:15 Best of Show Awards Reception in the Exhibit Hall

6:15 Exhibit Hall Closes





Harmonizing Information and Green Chemistry 

8:40 Chairperson's Opening Remarks

Larry Callahan, Ph.D., Chemist, Substance Registration System, Office of Critical Path Programs, Food and Drug Administration

8:45 Substances and the ISO Identification of Medicinal Product (IDMP) Standards: Streamlining Data for Drug Development and Safety Analysis

Larry Callahan, Ph.D., Chemist, Substance Registration System, Office of Critical Path Programs, Food and Drug Administration

To meet the primary objectives of the regulation of medicines and pharmacovigilance, it is necessary to exchange medicinal product information in a robust and reliable manner. The use of standardized medicinal product information is regarded as one of the key elements of this information flow. This presentation will briefly discuss each of the ISO Identification of Medicinal Product Standards and the role of the standards in harmonizing information and furthering drug utilization and development.

9:15 Use of the Electronic Laboratory Notebook to Faciltate Green Chemistry within the Pharmaceutical Industry

Michael Kopach, Ph.D., Research Advisor, Chemical Product Research and Development, Eli Lilly and Company

For commercial R&D processes, minimization of waste and elimination of hazardous solvents are important environmental objectives. To assist with the green chemistry goals, Process Mass Intensity (PMI) are now reported directly within the ELN. The new ELN tool reports Toxic Release Inventory (TRI) chemicals and classifies all solvents with an environmental rating.

ParthysReverseInformatics9:45 Are You Ready for 'in litero' Drug Discovery?

Srinivasan Parthiban, Ph.D., CEO & President, Parthys Reverse Informatics

Missing information in drug discovery will cost time, quality and money. Our exhaustive synonym dictionary on drug targets will give you a complete, comprehensive actionable data to work in knowledge rich environment. A search query with our periodically updated synonym dictionary will facilitate interoperability; enabling us to find the unfindable. Our Target Thesaurus aims at empowering Drug Discovery Informatics with a computable knowledge ecosystem.

OntoChem 10:00 Development and Application of Chemical Ontologies
Lutz Weber, Ph.D., Director, OntoChem GmbHOntologies have great impact for knowledge and data mining in life sciences, chemical ontologies however are just at their beginning.  Thus, we have developed the first chemistry ontology editor, to create chemical ontologies and to annotate databases and scientific literature.  Through case study examples, attendees will gain an understanding of how to make use out of chemical ontologies for innovative solutions in their research and product development efforts.

10:15 Coffee Break in the Exhibit Hall and Poster Competition 

10:45 Plenary Keynote Panel Chairperson's Remarks

Kevin Davies, Ph.D., Editor-in-Chief, Bio-IT World

10:50 Plenary Keynote Panel Introduction

Geoffrey Noer, Senior Director, Product Marketing, Panasas


11:00 Plenary Keynote Panel:
A special plenary session featuring trends and challenges in cancer research:

Julian Adams, Ph.D., President, Research and Development, Infinity Pharmaceuticals, Inc.

Jose Baselga, M.D., Ph.D., Chief and Bruce A. Chabner Chair, Division of Hematology/Oncology, Massachusetts General Hospital; Associate Director, Massachusetts General Hospital Cancer Center; Professor of Medicine, Harvard Medical School

Sir John Burn, MD, FMedSci, Professor of Clinical Genetics, Institute of Genetic Medicine, Newcastle University, UK; Genetics Lead, National Institute of Health Research, UK; Medical Director, QuantuMDx Ltd

John Quackenbush, Ph.D., Professor, Biostatistics and Computational Biology, Cancer Biology Center for Cancer Computational Biology, Dana-Farber Cancer Institute

12:15 Luncheon in the Exhibit Hall with Poster Viewing


DRUG Repositioning 

1:55 Chairperson's Remarks

Pankaj Agarwal, Ph.D., Director, Computational Biology & Bioinformatics, GlaxoSmithKline

2:00 Next-Generation Connectivity Maps

Willis Read-Button, Senior Research Associate, Broad Institute

The talk will describe our efforts to greatly expand the Connectivity Map using a novel high-throughput low-cost gene-expression profiling technology we have developed. The idea that a comparable system populated with expression profiles of a pharmaceutical company's proprietary chemical matter could serve as an efficient open-innovation platform will also be discussed.

2:30 Systematic Drug Repositioning

Pankaj Agarwal, Ph.D., Director, Systematic Drug Repositioning, Computational Biology, GlaxoSmithKline

Drug repositioning offers the potential to create value for patients in a quicker time frame. We will examine some recent methods that can systematically identify disease indications for drugs; in particular 1) genome wide association studies (GWAS), 2) connectivity map (expression based drug signatures), 3) side-effects from drug labels, and 4) electronic health records (EHRs).

3:00 Computational Drug Repurposing Using Mountains of Molecular Data

Joel T. Dudley, Ph.D., Director, Informatics and Co-Founder, NuMedii, Inc.; Consulting Professor of Systems Medicine, Department of Pediatrics, Stanford University School of Medicine

It is now possible to apply large-scale integrative informatics approaches to leverage the aggregate molecular data in these repositories towards evaluating new types of biomedical hypotheses. In this talk, I will present our recent work in developing a systematic computational approach to identify novel drug indication relationships using public gene expression profiles.

3:30 Closing Featured Speaker
Pistoia Alliance: Progress in Pre-Competitive Collaboration

Ramesh Durvasula, Ph.D., Director, Informatics for Molecular Sciences, Candidate Optimization & Drug Safety Evaluation, Bristol-Myers Squibb

Since 2009, the Pistoia Alliance has drawn significant interest from across the industry. We are focused on the highest value, most-challenging opportunities for developing technology standards and new capabilities. The industry as a whole benefits from the efforts of Pistoia, not just any single segment. Learn the latest updates and current priorities of the Pistoia Alliance projects and how to become engaged in the Pistoia efforts.

4:00 Conference Adjourns


Download Brochure | Pre-Conference Workshops 


View 2016 Photos & Videos  

View 2016 Brochure
View 2016 Brochure
Platinum Sponsors


Cycle Computing logo small

DDN Storage  

Elsevier R&D Solutions


 IBM Logo Illumnia logo  

Intel Logo  

Precision for Medicine


 Seven Bridges Genomics

View All Sponsors

Official Media Partner

Official PR Partner

View All Media Partners

Conference CD

CD iconOrder the 2015 event proceedings - now available on CD

Complimentary Downloads

View white papers, listen to podcasts, and more!

  • Making the World's Knowledge Computable
  • Bioinformatics in the Cloud
  • The Application of Text Analytics to Drug Safety Surveillance

Related Event

 Medical Informatics World Related