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Advanced Biological and Chemical Discovery (ABCD): Centralizing Discovery Knowledge in an Inherently Decentralized World

Dimitris K. Agrafiotis,*^† Simson Alex,^† Heng Dai,^‡ An Derkinderen,^§ Michael Farnum,^† Peter Gates,^† Sergei Izrailev,^† Edward P. Jaeger,^† Paul Konstant,^† Albert Leung,^‡ Victor S. Lobanov,^† Patrick Marichal,^§ Douglas Martin,^‡ Dmitrii N. Rassokhin,^† Maxim Shemanarev,^† Andrew Skalkin,^† John Stong,^† Tom Tabruyn,^§ Marleen Vermeiren,^§ Jackson Wan,^‡ Xiang Yang Xu,^† and Xiang Yao^‡

Information Technology, Johnson & Johnson Pharmaceutical Research & Development, L.L.C., 665 Stockton Drive, Exton, Pennsylvania 19341, Information Technology, Johnson & Johnson Pharmaceutical Research & Development division of Janssen Pharmaceutica N.V., Turnhoutsweg 30, 2340 Beerse, Belgium, and Bioinformatics, Johnson & Johnson Pharmaceutical Research & Development, L.L.C., 3210 Merryfield Row, San Diego, California 92121

J. Chem. Inf. Model., 2007, 47 (6), pp 1999–2014

DOI: 10.1021/ci700267w

Publication Date (Web): November 1, 2007

Corresponding author phone: (610) 458-6045; fax: (610) 458-8249; e-mail: dagrafio@prdus.jnj.com.

†

Exton, PA.

‡

La Jolla, CA.

Beerse, Belgium.

Abstract

We present ABCD, an integrated drug discovery informatics platform developed at Johnson & Johnson Pharmaceutical Research & Development, L.L.C. ABCD is an attempt to bridge multiple continents, data systems, and cultures using modern information technology and to provide scientists with tools that allow them to analyze multifactorial SAR and make informed, data-driven decisions. The system consists of three major components: (1) a data warehouse, which combines data from multiple chemical and pharmacological transactional databases, designed for supreme query performance; (2) a state-of-the-art application suite, which facilitates data upload, retrieval, mining, and reporting, and (3) a workspace, which facilitates collaboration and data sharing by allowing users to share queries, templates, results, and reports across project teams, campuses, and other organizational units. Chemical intelligence, performance, and analytical sophistication lie at the heart of the new system, which was developed entirely in-house. ABCD is used routinely by more than 1000 scientists around the world and is rapidly expanding into other functional areas within the J&J organization.

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