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

• Published in: Journal of chemical information and modeling Vol. 47; no. 6; pp. 1999 - 2014
• Main Authors: Agrafiotis, Dimitris K, Alex, Simson, Dai, Heng, Derkinderen, An, Farnum, Michael, Gates, Peter, Izrailev, Sergei, Jaeger, Edward P, Konstant, Paul, Leung, Albert, Lobanov, Victor S, Marichal, Patrick, Martin, Douglas, Rassokhin, Dmitrii N, Shemanarev, Maxim, Skalkin, Andrew, Stong, John, Tabruyn, Tom, Vermeiren, Marleen, Wan, Jackson, Xu, Xiang Yang, Yao, Xiang
• Format: Journal Article
• Language: English
• Published: United States American Chemical Society 01.11.2007
• Subjects: Biology; Chemistry; Computational Biology; Computers; Drugs; Imaging, Three-Dimensional; Pharmaceuticals; Pharmacology; R&D; Research & development
• ISSN: 1549-9596; 1549-960X
• DOI: 10.1021/ci700267w

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.