There are 5 conditions i need to use to rank my results, these are the instructions
In an adjacent column in Excel, calculate the number of “Rule of 5 violations”. - Aim to do this in a single column by adding up a series of “IF” functions to test whether each column (or the sum of several columns) violates the associated “Rule of 5”. (Take a look at the Lipinski rules & you will be able to work it out … you can see the format for the IF statement by clicking on the “function” button.)
the rules are
Lipinski found that poor absorption or permeation of a drug is more likely when:
Molecular weight > 500 amu
Log P > 5
No. of H-bond donors > 5
No. of H-bond acceptors > 10
Scigress can be used to calculate each of these properties:
No. of H-bond donors can be modelled by: - OH (hydroxyl) - NH2 (amine) - NH- (secondary amine)
No. of H-bond acceptors can be modelled by: - O atoms - N atoms
So my results are for each rules, molecular weight, log p, etc so how can how would i use an if function to rank the results? see attachment. absorption.xlsx
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