2 Replies Latest reply: Mar 27, 2012 11:05 AM by Nick Price RSS

    Oncologic Inconsistencies

    Nick Price New User

      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.