公开(公告)号：US20240385154A1

公开(公告)日：2024-11-21

申请号：US18689808

申请日：2022-09-05

Applicant: Roche Diagnostics Operations, Inc.

Inventor： Kirill Tarasov ,  Andreas Reichert ,  Manuela Hummel ,  Robert Lang ,  Marius Wagner

IPC: G01N30/86 ,  G01N30/02 ,  G01N30/72

Abstract: A computer implemented method for automated quality check of chromatographic and/or mass spectral data is disclosed. The method comprises the following steps: a) (110) providing processed chromatographic and/or mass spectral data obtained by at least one mass spectrometry device (112); b) (114) classifying quality of the chromatographic and/or mass spectral data by applying at least one trained machine learning model on the chromatographic and/or mass spectral data, wherein the trained machine learning model uses at least one regression model (116), wherein the trained machine learning model is trained on at least one training dataset comprising historical and/or semi-synthetic chromatographic and/or mass spectral data, wherein the trained machine learning model is an analyte-specific trained machine learning model.