schymane RChemMass issues - Githubissues

schymane / RChemMass

Various Cheminformatic, Curation and Mass Spectrometry Functions

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Prevent Unrelated Error Upon Invalid Formula

#12 GenieTim closed 3 years ago
1
trimBuiltSmiles should not be used for de-duplication

#11 adelenelai closed 4 years ago
2
check_ded2 should not die on deducting nothing

#10 MaliRemorker closed 4 years ago
1
fix getPcCand.coassoc docs and return val

#9 schymane closed 4 years ago
0
Add Patent and PubMedID Count functions

#8 schymane closed 4 years ago
0
consider adding a CITATION file

#7 egonw closed 5 years ago
3
update simolecule website

#6 schymane closed 5 years ago
0
Update CompTox.R

#5 meowcat closed 5 years ago
1
Update docs to reflect new rcdk location

#4 schymane closed 5 years ago
0
Fixed error with missing !is.na if no CAS is delivered.

#3 tsufz closed 6 years ago
0
RChemMass::getSuspectIdentifiers breaks on error

#2 tsufz closed 6 years ago
0
Some uncritical build warnings

#1 tsufz closed 6 years ago
1