Accelry Solutions for Enhancing Research Innovation: An Interactive Seminar



Presenter: Adel Laoui, Managing Director Life Sciences, Accelrys, US
Title: Welcome and Introduction

We’re currently experiencing one of the major transformations of the Pharmaceutical and beyond of the Healthcare industry of the last decade. This transformation is driven by the fiercer competition across the firms; a world of restricted funding, cost pressures and reduced margins; diversification towards healthcare; the need to accelerate time to market, the virtualization of the R&D with external innovation and partnerships and finally the concentration around geographical hub where the innovation ecosystem is strong.

Moreover, the pressure from the government driven healthcare reform, the changing demographics, the influence of technology and the evolving of business model represent a tremendous opportunity for informatics software providers to bring disruptive solutions into the market place.

In this introduction we will discuss how Accelrys is expanding its horizon through the Scientific Innovation Life Cycle Management (SILM) to help its customers to increasing the quality of the science and technology, generate better value from existing portfolio, freeing and improving resource allocation to invest more in the future growth of the companies and industry.
Specifically we will address in the morning Accelrys innovative social collaborative solution for R&D professionals that help establish trusted bridge between partners’ networks and in the afternoon our predictive science solution to improve efficiency & efficacy of product development.

Presenter: Yves Collenot, IS Project Leader, Sanofi Aventis, France
 SHERPA - A New Sanofi-Aventis R&D Service to Support Drug Discovery Data Exchange with External Partners.

In July 2012 the SHERPA project was launched. This project had the objective of fostering open innovation at Sanofi-Aventis R&D. Leveraging Accelrys HEOS platform and Pipeline Pilot, this services aims at supporting scientific project teams which have collaborations with external partners (CROs, universities).

Pharma Research is about generating huge volume of data in chemistry, biology, etc. and scientists become engaged in complex time consuming data management activities (which induces a high risk of errors) rather than focusing on Research and analysis activities. Streamlining data exchange (HEOS platform, guidelines) with external partners, SHERPA considerably reduces the time spent by the scientists (including partner) to collect and share data while guaranteeing a secure and high quality level of data.

SHERPA was recently honored with the first Scientific Innovation Lifecycle Leaders Award.
This talk will present the service framework (people, processes, tools) as well as the project approach that led to a successful implementation.

Presenter: Andrew Pannifer, Head of Computational Chemistry, IMI European Lead Factory/University of Dundee, UK

Title: IMI European Lead Factory: Introduction Opportunities

The European Lead Factory is a pan-European platform for drug discovery supported by the Innovative Medicines Initiative (IMI) that is set to give a major boost to drug discovery in Europe. In this consortium of 30 partners, pharmaceutical companies, academic partners and SMEs join forces to create a High Throughput Screening (HTS) infrastructure, a high quality compound collection and medicinal chemistry expertise. The goal of the consortium is to facilitate drug discovery by academic groups and SMEs and exchange of compounds between pharmaceutical companies.  The compound collection comprises a core of 300,000 compounds from the pharma companies, rising to 500,000 over the course of the project through bespoke library synthesis. Compound screening and management exploit state of the art infrastructure while the medicinal chemistry group will drive SAR generation on selected targets. The ELF will facilitate the precompetitive phase of drug discovery by bridging the gap between academic groups and the technologies required for drug discovery and by exchanging compounds between pharmaceutical companies. An integrated informatics platform is being built to support this.

Presenter: David Brown, BT, UK

Title: Unlocking Real World Health Data

How BT and Accelrys have utilised the Accelrys Enterprise Application Platform to understand the vast amount of open data published by the UK National Health Services.

Presenter: Rob Brown, Senior Director Life Sciences Marketing & Andrew LeBeau, Senior Product Manager, Accelrys, US

Title: Accelrys Next Generation Cheminformatics: Strategy & Progress

Accelrys is building the next generation cheminformatics solutions to enable customers to store, search and mine their research data. The suite is designed to allow for the registration and search of small molecules and biologic entities and associated data through modern web interface, as well as providing advanced scientific analytics and visualization. Underlying the suite is the Accelrys Enterprise platform and cheminformatics tools such as the Direct Cartridge. In this talk we will cover

  • Chemical Harmonization:  Defining a single common data model across the Platform, Cartridge, Clients and Pipeline Pilot that allows for the processing of molecules, reactions, biologics, Markush and variable structures
  • Accelrys Query Service: A platform service that enables a single access point to all the data sources that scientists need to complete their work, provides query and hit management and meta data management around data sources
  • Accelrys Cheminformatics Suite: New applications for chemical and biological registration, assay data management, searching and decision support including analytics and visualization

Presenter: Adrian Stevens, Senior Product Marketing Manager, Accelrys, UK

Title: Accelrys & Predictive Sciences in Pharmaceutical Research

With the life sciences market increasingly diversifying resources across both the traditional small molecule and new third and fourth-generation Biotherapeutics, there is an ever increasing need for predictive science solutions.  These solutions have to be both relevant to the specialist drug design needs, but also adaptable to a fit around rapidly evolving market dynamics.  Built on the market leading Accelrys Enterprise Platform, the Accelrys Discovery Studio modelling and simulation solution is ideally placed to both serve those predictive science needs and market workflow requirements.  In this talk, we will showcase some of the new features in Accelrys Discovery Studio and illustrate how these address critical research challenges.

Presenter: Andrew Buchanan, Senior Scientist, MedImunne, UK

Title: Engineering Drug Like Properties of Therapeutic Proteins

Proteins have evolved in nature to fulfil a defined in vivo function but may not meet critical quality requirements for clinical development as therapeutics. Case studies will be presented on improving stability and expression of therapeutic proteins using directed evolution and rationale design strategies incorporating Discovery Studio.

Presenter: Stephen Pickett, Group Leader in Computational Chemistry and Informatics, GSK, UK

Title: QSAR Workbench: Enabling Best Practices in Large Scale Model Building

Development of local and global QSAR models remains a key requirement for many drug discovery programs; however increasing pressure on resources means that experts in specific statistical tools are not always available. In this presentation we describe the QSAR Workbench, a collaborative development between GlaxoSmithKline and Accelrys that enables specialists to record and publish best practices through an easy to use graphical interface. The recorded workflows can be replayed by both QSAR expert and non-QSAR expert against new datasets. The workbench can be used to explore the massive potential model space defined though the combinatorial use of different statistical tools, descriptors-sets and training/test-set splits. The use of Pipeline Pilot to build the backend framework means that the system is easily extensible in terms of available statistical tools, descriptors and model analysis methods.

Presenter: Pekka Tiikkainen, Scientific Expert, Merz, Germany

Title: Informatics Platform for Drug Repurposing at Merz Pharmaceuticals

Standardization and integration of biological and chemical data is the key in maximizing the value of data resources available. This allows research team members to access data from several heterogenous data sources through a single interface.

At Merz, we have developed an informatics platform used actively for identification of drugs suitable for repurposing. At the core of the platform are two chemical biology databases which in turn are used to predict new targets for drugs. This all is displayed to the scientists through a web-based interface with custom-made search tools for rapid identification of repurposing opportunities.

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