Kevin Bateman, retired pharmacokinetics, pharmacodynamics and drug metabolism expert, discusses "Artificial intelligence quantitation (AI quant): molecular structure and mass spectral data quality driven processing of high-resolution mass spectrometry for quantitative analysis" on day 1 of the SCIEX Summit.
High-resolution mass spectrometry (HRMS) has long sought to be a viable alternative for quantitative workflows but has been unable to broadly compete, mainly due to the lack of suitable data processing software. In this work we describe:
- A molecular structure-dependent workflow
- The holistic and user-independent processing of HRMS data
- The automatic quantification of small drug-like molecules
High-resolution mass spectrometry (HRMS) has long sought to be a viable alternative for quantitative workflows but has been unable to broadly compete, mainly due to the lack of suitable data processing software. In this work we describe:
- A molecular structure-dependent workflow
- The holistic and user-independent processing of HRMS data
- The automatic quantification of small drug-like molecules
- Category
- Artificial Intelligence


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