In its ABCD platform, Johnson & Johnson will combine a variety of in silico, in vitro, and in vivo data in a single electronic environment for scientists. A selected list of major components is below.

ABCD Component Applications

Third Dimension Explorer A molecular spreadsheet with built-in functionality for chemists, including substructure searching and similarity searching. Includes a variety of interactive data analysis and visualization elements, 2-D and 3-D scatterplots, histograms, etc.

Query Plug-ins for Third Dimension Explorer Graphical query forms that allow users to post database queries without requiring SQL knowledge.

Web Services and Computing Plug-ins, Third Dimension Explorer Multiple components for computing additional properties (e.g., Lipinski properties, pKa, solubility, in silico ADME/Tox, etc.) and performing computational data analysis (e.g. PCA, diversity analysis, similarity searching, QSAR, etc.).

Reporting Plug-ins, Third Dimension Explorer Report engine and custom templates for generating complex reports (e.g., MedChem lead profiles or HTS campaign summaries).

Upload Plug-ins, Third Dimension Explorer Tools for registering biological activity and ADMET data into the underlying transactional data sources.

ABCD Workspace Personalized Web portal for tracking project news (e.g., new assay registration or new data upload), sharing project-specific query and report templates, and scheduling automated report generation.

ABCD Component Databases

GCRS - Global Compound Registration System A catalog of all compounds and batches that have been produced or made available to J&J PRD for discovery activities.

PIR - Pharmacological Indication Response The European system for registering and reporting biological activities from HTS, non-HTS, ADME/Tox, in vitro, ex vivo, and in vivo studies.

ESADB - Enhanced Structure Activity DataBase The U.S. system for registering and reporting biological activity values from HTS, non-HTS, ADME, in vitro, ex vivo, and in vivo studies.

GLAD - GLobal Assay Database A soon-to-be released system for analyzing and reporting high-throughput screening (HTS) data.

DiscoverWorks The informatics system acquired from 3-Dimensional Pharmaceuticals (3DP), which contains data on compounds and batches, biological activity values like the above systems, compound QC data (NMR, MS, LCMS), ADME, X-ray, and 3DP's ThermoFluor assay data.

Leapfrog The JJPRD project tracking system.

Source: Bio·IT World

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