We do not know if we have all alkylated versions of each parent. Therefore, we should force users to provide a lookup table to explicitly connect the parent to alkyl when summing. Then potentially export a list of parent and alkyl compounds that were used in summing.
We do not know if we have all alkylated versions of each parent. Therefore, we should force users to provide a lookup table to explicitly connect the parent to alkyl when summing. Then potentially export a list of parent and alkyl compounds that were used in summing.