Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Percepta: Handling compounds outside the model’s applicability domain
DescriptionPercepta property predictions are most reliable for structures that fall within the applicability domain of each model. For unusual or very large structures, or those with rare functiona...
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Percepta: Why stereochemistry is generally ignored in property predictions
DescriptionPercepta typically does not treat stereoisomers differently when predicting many physicochemical and ADME/Tox endpoints. For most covered properties, the available data and statistical c...
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Katalyst: Creating multiple (bulk) Katalyst experiments from plate templates
DescriptionUsers run many similar experiments with the same or similar plate layouts (e.g., screening campaigns).Manually creating each experiment and defining plates is time‑consuming and error‑pr...
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Katalyst: General guidelines for multi-environment setups (dev/test/prod)
DescriptionOrganizations commonly run multiple Katalyst environments:Development (dev) for configuration and PoCs.Test/UAT for validation.Production for daily use.Issues arise when:Configurations d...
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Katalyst: “No materials found” error in Katalyst when importing from an external materials source
DescriptionUsers attempt to search or import materials from an external source (e.g., corporate compound repository, reagent database) in Katalyst.The search returns “no materials found” or an empt...
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Katalyst: users lose access to experiment after project ownership change
DescriptionA Katalyst project’s ownership or responsible group changes (e.g., from one team to another).After the change, some users:Can no longer see or open experiments they previously accessed.E...
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Katalyst: Mismatch between reaction and analysis plate layouts
DescriptionUsers configure a reaction plate (e.g., 96‑ or 384‑well) and an analysis plate for analytical data.Analytical data is attached, but:Results appear in unexpected wells, orSome wells that ...
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Katalyst: Export from Katalyst to a downstream system fails due to invalid characters in names or IDs
DescriptionWhen exporting experiments or plates from Katalyst to a downstream system (e.g., ELN, registration, or external database), exports fail or are rejected.Logs or error messages mention inv...
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Katalyst: Experiment cannot be finalized due to missing analytical data
DescriptionWhen attempting to finalize an experiment, Katalyst shows a warning or error that prevents finalization:Some wells are missing required analytical data (e.g., LC/MS results).Some plates ...
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Katalyst: User cannot see certain experiments due to missing role or group assignment
DescriptionA user logs into Katalyst successfully and can see some experiments, but:Certain experiments or projects do not appear in their list.Other users (e.g., administrators) can see those expe...