Irina Oshchepkova
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Articles
Recent activity by Irina Oshchepkova-
Percepta: Using predicted plasma protein binding in early risk assessment
DescriptionPredicted plasma protein binding (PPB) indicates how much drug is unbound (free) vs bound in circulation. Highly bound compounds may have altered pharmacokinetics. Percepta can provide P...
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Percepta: Screening for CNS penetration potential using predicted properties
DescriptionCentral nervous system (CNS) penetration relates to multiple properties, including lipophilicity, polarity, and ionization at physiological pH. Percepta predictions can be combined quali...
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Percepta: Using predicted properties to flag potential formulation challenges
DescriptionEarly prediction of solubility, lipophilicity, and ionization can highlight compounds that may be challenging to formulate (e.g., very low solubility, extreme logP). Percepta helps ident...
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Percepta: Predicting and interpreting skin permeability (logKp)
DescriptionPercepta can estimate skin permeability (logKp), which reflects how readily a compound passes through skin. These predictions are useful in dermal exposure assessment and topical formula...
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Evaluating structural alerts for toxicity
DescriptionSome Percepta toxicity models use structural alerts (toxicophores) to flag potentially problematic substructures. These alerts are qualitative and should be interpreted alongside broader...
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Spectrus: Exact mass search returns no hits when mass tolerance is set too narrow
DescriptionUsers perform an exact mass search in Spectrus (e.g., using IXCR or Search Structure by mass against a local database or formula finder) and get “no hits” even for compounds that are kno...
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Spectrus: Component table is empty even though chromatographic peaks are visible
DescriptionAfter importing and processing an xC/UV/MS dataset, users see chromatographic peaks clearly in TIC or UV traces, but the Component Table (or equivalent) remains empty. This often occurs ...
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Spectrus: Vendor Data Import fails on one workstation but succeeds on others
DescriptionA specific workstation cannot import xC/UV/MS vendor files that import correctly on other machines with the same Spectrus version. The user may see “unknown format”, partial import, or l...
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Spectrus: Evaluating component stability over time using overlayed chromatograms
DescriptionStability studies often generate multiple xC/UV/MS chromatograms for the same sample stored under different conditions or time points. Spectrus overlays help visualize appearance/disappe...
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Spectrus: What to do if a Vendor Dataset always fails during bulk import
DescriptionOccasionally, a particular raw dataset may trigger errors when included in a bulk import, while other files import correctly. This can indicate corruption in the vendor file or edge‑case...