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rcellminer (version 1.4.2)

passRuleOf5FromNsc: Checks if NSC passes Lipinski's Rule of 5

Description

Checks if NSC passes Lipinski's Rule of 5

Usage

passRuleOf5FromNsc(nsc, acceptableViolations = 0, verbose = FALSE)

Arguments

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)

Value

  • a boolean or NA, whether the NSC passes the criteria or NA if the NSC had no structure

concept

rcellminer

Details

Uses RCDK: org.openscience.cdk.qsar.descriptors.molecular.RuleOfFiveDescriptor

Examples

Run this code
passRuleOf5FromNsc("94600", verbose=TRUE)

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