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I am interested in using OPERA to estimate physicochemical parameters - specifically pKa. I downloaded the GUI and it seems that i only get pKa values returned which are already in the CompTox dashb…
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NVS endpoints have the mc3 method of '20', 'resp.blineshift.50.repi', 'Shift the normalized response value (resp) with a baseline correction, by replicate index (repi), with a window of 50.', but this…
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Hi @alexchao32
Thanks for your new records in https://github.com/MassBank/MassBank-data/pull/244 :-)
We've just crunched the data for PubChem and one SMILES failed the deposition:
`CC[N+](CC…
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Some assays screen positive or negative control chemicals, and we indicate these wells with wllt designations
- c: Gain-of-signal control in multiple concentrations
- p: Gain-of-signal control in sin…
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I am looking to recruit some help to generate image files from a code base I haven't opened since 2017.
Please see this script:
https://github.com/USEPA/CompTox-ToxCast-EDSPsteroidogenesis/blob/mast…
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The current parameterization of the polynomial 2 model diverges from that of BMDS and BMDExpress. It assumes that the background response is always at zero and also does not allow for fitting of biph…
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Some half-baked ideas for package development. Putting them here for posterity and will hopefully expand upon soon:
1. ICE and AP data availability. A "list_available_chems" function that lets you …
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when trying to process, you may receive
Error: Column 'max_mean_conc' cannot be null [1048]
Add logic to correct conc where if zero and NULL: https://github.com/USEPA/CompTox-ToxCast-tcpl/blob/ma…
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