Data, Meta-Data and Documents in Ginas,

Data and Documents Data related to substances should be organized across manufacturers, by manufacturer and even across substances. Relationships between substances should be captured as data Data should be captured as structured data when possible and not stored in a documents (spectra should be captured as data and not just images when possible) Documents associated with a substance should be broken down as much a possible. Documents should only contain a single piece of information or referenced to a single piece of information.

Current eCTD Predominantly PDF orientated in a single semi- structured file with related xml data linked with PDF documents –Look at the quality section version Content is difficult to organize across applications Does not appear to require standardized data formats for spectral or chromatographic data just documents. Does not appear to require manufacturing data, reaction or synthesis data to be in a standardized format

eCTD Data Needs to be further tagged. Manufacturing Data –Synthesis Reaction Schema Starting Materials (IDs UNIIs) Processing Materials (solvents, catalysts, media) Equipment Process information –Purification Capture each step Type of operation (crystallation, filtration, chromatography) Media Elution buffer

Manufacturing cont. –Finishing Lyophillization Granulation Packaging Stability

Characterization Structure Elucidation PDF Documents allowed but standardized data format encouraged –Spectroscopy Mass Spectra –MZML NMR IR spectra UV spectra –Crystallographic data Crystallographic Information File (CIF) Protein Data Bank Format (PDB)

Characterization –Other Tests Glycoanalysis Purity –Chromatographic Data OpenChrom –Electrophoresis –Limit Tests Assay –Chromatographic –Biological (Cell Assays) –Titrations

Biological Studies Preclinical –Cell Assays (Potency, Tox, Transporter pK) –Animal Data (Tox, pK/pD, Deposition, Metabolism) –CYP and Transporter profiling –Target and Pathway Info (Enzyme Assays) Clinical –Metabolism –pK –Clinical Trial Data