Standardizer applied tasks are misreported

Hi,

When using the attached Standardizer configuration, I'm finding that the first (and possibly the last) transformations are very often reported as having been applied.

I've attached two SD files by way of example. Only one of which should have the first transformation applied.

sorbitan_monooleate.sdf - no

naromatic.sdf - yes

Instead, both SD files have the change applied, as reported by the appliedTaskIDs() method on the Standardizer class. Note: the first transformation is titled "Transform Aromatic N-Oxide".

I'm also seeing some odd behaviour when I change the order of the transformations. For example when I swap the order of the first two transformations, then "sorbitan_monooleate.sdf" suddenly shows the "Transform Azide" task ID, but no longer has the "Transform Aromatic N-Oxide" transformation.

We are using ChemAxon version 5.7.0.

Any help appreciated,

James Siddle

Hi,

I moved this topic to the appropriate forum.

Bye,

Robert

Hi James,

It's a bug. We will fix it, and we will let you know when the fix will be available. Thanks for the report.

Zsolt

Zsolt wrote:

Hi James, It's a bug. We will fix it, and we will let you know when the fix will be available. Thanks for the report. Zsolt

Great, thanks for letting me know. 

Also can you say if it's a bug with reporting, or is the chemical actually being modified? We are planning to use the Standardizer in a production run very soon, so it would be good to know if the chemistry is sound.

Thanks,

Jim

It's a bug in reporting. The chemistry part works fine.

Zsolt