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NEWS
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19.10.20 fixed PubChem URL issues with httr not RCurl, v0.1.28
18.05.20 fixed check_ded2, getPcCand.coassoc, v0.1.27
25.04.20 added getPcCand.coassoc, v0.1.26
25.03.20 added getPcCand.ExactMass, v0.1.25
05.03.20 added getPCIDs.CIDtype, getPCproperty.IsoSMILES, v0.1.24
02.03.20 updated docs, no version bump.
20.01.20 adjusted getPCID.smiles, getPCxrefs.count, v0.1.23
17.12.19 added getPCproperty.MF, getPCdesc.title, v0.1.22
14.12.19 added getPCxrefs.count, v0.1.21
13.12.19 added getPCID.smiles, v0.1.20
17.07.19 fixed documentation URLs, added CITATION, v0.1.19
21.06.19 fixed bug in trimBuiltSmiles (thanks meowcat), v0.1.18
09.08.18 add getPCInChIKey, v0.1.17
25.07.18 add getInChI.obabel, v0.1.16
18.07.18 add SplitPFAS functions and extdata, v0.1.15
09.07.18 fixed CDKDepict URL to new URL location, v0.1.14
04.05.18 fixed documentation issues, v0.1.13
26.04.18 added obabel smiles to inchikey function, superceding babel form, version 0.1.12
08.01.18 changed email address, upload to github as is, version 0.1.11
03.08.17 added getAdductMassesFromFormula, version 0.1.10
16.06.17 updated depict documentation https://github.com/rajarshi/cdkr/issues/49 but no version bump.
16.06.17 added Rajarshi and Zach as contributors, no version bump.
15.06.17 fixed example for trimBuiltSmiles, updated getCDKlogPs to is.null after rcdk patch, version 0.1.9
17.05.17 added buildSeriesLabel, buildMemberLabels, no version bump (still WIP)
16.05.17 added trimBuiltSmiles, no version bump (still WIP)
12.05.17 added CompTox.R with buildCompToxURL function, version 0.1.8
04.05.17 added Artistic-2.0 license, version 0.1.7.
19.04.17 fixed splitRrange to remove any bracket form. No version bump.
11.04.17 added CAS_fix, fixed documentation errors, version 0.1.6
03.04.17 added build.homol.byMass, version 0.1.5
22.03.17 fixed minor bug in getSmilesFromInChI.babel, no version bump.
16.03.17 fixed bug in documentation, added SMILES to warning in getSuspectMasses, version 0.1.4
14.03.17 fixed bug in getSuspectMasses, documentation in check_ded2, version 0.1.3
13.03.17 added getSuspectMasses and check_ded2, version 0.1.2
24.02.17 fixed functions with rcdk upgrade to new depiction, version 0.1.1
17.02.17 first package build, version 0.1.0