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此歷程聚焦於創藥領域資訊學方法的技術創新。加上屬於組織的研究人員和個人的研究人員從蒐集無數數據之生物醫學關係數據的不同區塊間能安全共享基礎設施和工具，收集與生物學研究有關的各種知識，介紹在高柔性數據挖掘/分析應用中總括性的軟體和算法。

10月12日

13:00 Conference Registration

創藥的共同作業

Sponsored by
14:00 Chairperson’s Remarks

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

14:05 Library Enhancement through the Wisdom of Crowds

Dimitris K. Agrafiotis, Vice President, Informatics, Johnson & Johnson Pharmaceutical Research & Development

We present a novel approach for enhancing the diversity of a chemical library rooted on the theory of the wisdom of crowds. Our approach was motivated by a desire to tap into the collective experience of our global medicinal chemistry community and involved 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.

14:35 Collaborative Virtual Organization & Infrastructure for Anti-Malarial Drug Design

Barry Hardy, Ph.D., Project Coordinator, Scientists Against Malaria and SYNERGY

The Scientists Against Malaria consortium is a virtual drug discovery organization collaborating on target selection and modeling, protein expression and assay development, computational drug design, and screening. Supported by developments on the EU FP7 funded SYNERGY and OpenTox projects, a combination of interoperable information systems, ontologies and web services were designed and deployed to manage the data, documents, computational and assay results, activity and toxicology predictions, as well as dashboards to track project progress and to support decision making.

15:05 Integrated Decision Support for Drug Safety Assessment

Ola Spjuth, Ph.D., Researcher, Pharmaceutical Biosciences, Uppsala University, Sweden; Project Leader, Bioclipse

The Bioclipse Decision Support system is a free and open source solution developed as a collaboration between the Department of Pharmaceutical Biosciences at Uppsala University, Sweden, and the Computational Toxicology group at AstraZeneca R&D, M闤ndal, Sweden. This talk presents a general framework for building and deploying predictive in silico models, demonstrated on drug safety data. The result is a decision support system capable of running local and remote models with interpretable results, and we here present our recent developments.

15:35 Refreshment Break - Networking with Sponsors

16:15 Sponsored Presentations (Opportunities Available)

16:45 Towards a Brokering Framework for Knowledge-Based Services: Learning from the Pistoia Alliance SESL Pilot

Ian Harrow, Pistoia Alliance

This presentation describes a pilot project to determine the feasibility of biomedical knowledge brokering. It shows query across multiple disparate data sources through a brokering demonstrator built from RDF triple store technology. The learning from this pilot is contributing to larger scale projects such as the Innovative Medicines Initiative, OpenPFACTs.

17:15 Sponsored Presentation (Opportunity Available)