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3217 Views 2 Replies Latest reply: Mar 27, 2012 11:05 AM by Nick Price RSS
Nick Price New User 67 posts since
Jun 9, 2010
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Mar 26, 2012 12:44 PM

Oncologic Inconsistencies

Hi All,

I've been doing some work with organophosphorus pesticides and, in order to build a category of analogues for read across I've been using the oncologic profiler which includes "Organophosphorus type Compounds" as one of its profiles. Its "phosphate type" profile phosphate.JPGis as shown where R1/R2/R3 can be alkyl, H, benzyl or phenyl, and X= O or S

However, I've found that some organophosphorus compounds are classified as such but others are not. For example; malathion is not classed as an organophosphorus compound, neither is its monoacid whereas malathion diacid is, (see attached file). I've had a quick look at the profile boundaries but can't really get to grips with it. Suffice to say that I've found a custom profiler using

OP1.JPGOR OP2.JPGworks better for my purposes.

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