Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Katalyst: Understanding when to use reaction vs analysis plates
DescriptionUsers new to Katalyst may be unsure:What the difference is between reaction plates and analysis plates.Which plate to edit when changing materials or reviewing analytical results.Misuse ...
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Katalyst: Resolving mismatched versions between Katalyst and Spectrus DB
DescriptionAfter upgrading either Katalyst or Spectrus DB, users encounter:Errors when opening experiments.Missing functionality or inconsistent behavior.Investigation shows that Katalyst and Spect...
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Katalyst: Experiment creation fails due to missing mandatory fields
DescriptionWhen creating a new experiment in Katalyst, the user cannot save or proceed.The UI may highlight fields or show validation errors indicating that certain mandatory properties are missing...
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Katalyst: Sequence file missing for Katalyst experiment – impact and recovery options
DescriptionUsers expect a sequence file associated with a Katalyst experiment for their instrument (e.g., LC/MS).The sequence file cannot be found:It was never generated, orIt was deleted or moved....
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Katalyst: Managing duplicate compounds across plates and experiments
DescriptionIn some workflows, the same compound appears:Multiple times on the same plate (replicates), orOn many plates across a campaign.Users want to:Track compound usage across plates/experiment...
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Percepta: Exporting prediction results with structure information
DescriptionWhen running property predictions for multiple compounds, users often need to export results along with structure representations for downstream analysis or archiving.SolutionFrom Spread...
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Percepta: Understanding “macro” vs “micro” pKa constants and charged species
DescriptionPercepta pKa predictions distinguish between different ionization centers and resulting charged forms. This can lead to multiple pKa values (micro pKa) and overall (macro) ionization beh...
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Percepta: Interpreting nitro groups in Percepta vs. ChemSketch
DescriptionDifferent cheminformatics tools can represent nitro groups (–NO2) in alternative valence forms. Some drawing styles that look correct visually may trigger valence or charge warnings in o...
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Percepta: Interpreting nitro groups in Percepta vs. ChemSketch
DescriptionDifferent cheminformatics tools can represent nitro groups (–NO2) in alternative valence forms. Some drawing styles that look correct visually may trigger valence or charge warnings in o...
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Percepta: Batch Calculations in Spreadsheet mode
DescriptionPercepta can calculate properties for multiple compounds in one run, which is useful for libraries, series, or structure sets. Correct input formatting is required to ensure all structur...