VPSPulse Mirrors
High-Performance Open-Source Archive
NEWS
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