passRuleOf5FromNsc {rcellminer} | R Documentation |
Checks if NSC passes Lipinski's Rule of 5
passRuleOf5FromNsc(nsc, acceptableViolations = 0, verbose = FALSE)
nsc |
a string, the NSC identifier to be checked |
acceptableViolations, |
a number, the number of acceptable rule violations (default: 0) |
verbose |
a boolean, whether to write out the failing criteria (default: FALSE) |
Uses RCDK: org.openscience.cdk.qsar.descriptors.molecular.RuleOfFiveDescriptor
a boolean or NA, whether the NSC passes the criteria or NA if the NSC had no structure
passRuleOf5FromNsc("94600", verbose=TRUE)