Irina Oshchepkova
- Total activity 302
- Last activity
- Member since
- Following 0 users
- Followed by 0 users
- Votes 0
- Subscriptions 17
Articles
Recent activity by Irina Oshchepkova-
Percepta: Interpreting predicted aqueous solubility vs experimental variability
DescriptionPredicted aqueous solubility values (e.g., logS) come with inherent uncertainty due to limited and variable experimental data. Differences between prediction and experiment should be con...
-
Percepta: Handling salts and mixtures in property predictions
DescriptionProperty predictions typically apply to the neutral or a single defined form of a compound. Inputting salts or mixtures (e.g., hydrochloride forms, solvates) can complicate predictions a...
-
Percepta: Comparing predicted and experimental values in one view
DescriptionWhen experimental data are available, users may want to compare Percepta predictions to measured values for calibration or model evaluation.SolutionPrepare a data table including:Structu...
-
Katalyst: “No experiments found” in Katalyst search – common causes and fixes
DescriptionA user uses Katalyst’s search or experiment list filters (by ID, title, project, or date) and sees “no experiments found”.The experiment is known to exist and is visible to other users (...
-
Katalyst: Finalizing and Reopening Experiments Workflows
DescriptionFinalized experiments in Katalyst indicate that all work on the experiment has been completed and no further modifications are anticipated. Once an experiment is finalized, it can no lon...
-
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 ...
-
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...
-
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...
-
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....
-
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...