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pubchem.bio 1.0.5

• fix export.ComboundDb functionality bugs
• bring CIDs in from PubChemLite as an added data source to expand exogenous compound coverage.

pubchem.bio 1.0.4

• enable reporting of multiple LCA’s in pubchem.bio tables
• add reporting of LCA name(s) in pubchem.bio tables
• add option in build.pubchem.bio to use the neutral child rather than the parent, even if ‘use.parent’ option is TRUE.
• updated cid.lca.rda data to include lca.level column, used moving forward and reported in pubchem.bio object output.

pubchem.bio 1.0.3

• added export.CompoundDb function to enable ‘conversion to a CompoundDb’ sqlite database and compatibility with the RForMassSpectrometry metapackage
• added export.CompoundDb demonstration to vignette

pubchem.bio 1.0.2

• added build.element.count function
• added filtering demonstration to vignette

pubchem.bio 1.0.1

• corrected data.table namespace problem
• improve robustness of pathway data download

pubchem.bio 1.0.0

• Initial CRAN submission.

These binaries (installable software) and packages are in development.
They may not be fully stable and should be used with caution. We make no claims about them.