Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Luminata: How to Adjust the User/Group Authentication and Scan Refresh Interval in SDBES (Spectrus DB Enterprise Server)
DescriptionBy default, any changes made in ESMC will appear in Luminata after 60 minutes. You may want updates to take effect sooner. For that, you need to adjust permissions following the steps be...
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Luminata JS: Where to find log files
DescriptionTo resolve an issue with Luminata JS, logs should be collected and sent to Technical Support to review.SolutionBrowse console log: Press Ctrl + Shift + J in Web Browser (like Google Chro...
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Luminata: Where to find bug report log files
DescriptionWhen an error message is encountered, sometimes the bug report cannot be sent or the email disappears. The bug report log files can still be retrieved on the computer.SolutionOpen File E...
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Percepta: Batch prediction job fails when an SDF contains malformed records
DescriptionA batch Percepta prediction run on a large SDF file terminates early or skips records, with log messages indicating parse errors or invalid structures. Investigation shows that the SDF c...
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Percepta: Predictions differ unexpectedly between two apparently identical structures
DescriptionUsers enter two structures that appear the same visually (e.g., from different drawing tools or suppliers), but Percepta predictions (logP, solubility, pKa, etc.) differ. Closer inspecti...
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Percepta: Using predictions to support go/no-go decisions on early scaffolds
DescriptionEarly in discovery, teams may decide whether a particular scaffold family is worth further investment. Percepta predictions can provide a quick view of whether the scaffold’s inherent pr...
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Percepta: Early comparison of oral vs parenteral developability using basic properties
DescriptionWhile route-specific developability requires detailed data, basic predicted properties (solubility, lipophilicity, ionization) can provide a first-pass indication of whether a compound i...
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Percepta: Early assessment of chemical space coverage for a compound set
DescriptionBefore investing in a compound set, teams may want to know how diverse it is in terms of basic properties. Percepta predictions can be used to generate a quick view of chemical space cov...
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Percepta: Quick comparison of analog series using radar (spider) plots
DescriptionVisual comparison of several predicted properties across a small series of analogs can be done via radar (spider) plots. Even if plotted in an external tool, Percepta predictions provide...
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Percepta: Using predicted solubility and logD to flag potential precipitation risk
DescriptionPrecipitation risk in biological fluids (e.g., GI tract, plasma) depends on solubility and local supersaturation. Percepta predictions can help identify compounds that may be at higher c...