Combining fragment-ion and neutral-loss matching during mass spectral library searching: a new general purpose algorithm applicable to illicit drug identification AS Moorthy, WE Wallace, AJ Kearsley, DV Tchekhovskoi, SE Stein Analytical chemistry 89 (24), 13261-13268, 2017 | 92 | 2017 |
Creation and release of an updated NIST DART-MS forensics database E Sisco, AS Moorthy, LM Watt Journal of the American Society for Mass Spectrometry 32 (3), 685-689, 2021 | 29 | 2021 |
Mass spectral similarity mapping applied to fentanyl analogs AS Moorthy, AJ Kearsley, WG Mallard, WE Wallace Forensic Chemistry 19, 100237, 2020 | 27 | 2020 |
Estimating thermodynamic properties of pure triglyceride systems using the triglyceride property calculator AS Moorthy, R Liu, G Mazzanti, LH Wesdorp, AG Marangoni Journal of the American Oil Chemists' Society 94 (2), 187-199, 2017 | 27 | 2017 |
A spatially continuous model of carbohydrate digestion and transport processes in the colon AS Moorthy, SPJ Brooks, M Kalmokoff, HJ Eberl PloS one 10 (12), e0145309, 2015 | 23 | 2015 |
A new library-search algorithm for mixture analysis using DART-MS AS Moorthy, E Sisco Journal of the American Society for Mass Spectrometry, 2021 | 20 | 2021 |
Development and evaluation of a synthetic opioid targeted gas chromatography mass spectrometry (GC‐MS) method E Sisco, A Burns, AS Moorthy Journal of forensic sciences 66 (6), 2369-2380, 2021 | 13 | 2021 |
Spectral trends in GC-EI-MS data obtained from the SWGDRUG mass spectral library and literature: A resource for the identification of unknown compounds W Feeney, AS Moorthy, E Sisco Forensic Chemistry 31, 100459, 2022 | 12 | 2022 |
Updates to the inverted library search algorithm for mixture analysis AS Moorthy, SS Tennyson, E Sisco Journal of the American Society for Mass Spectrometry 33 (7), 1260-1266, 2022 | 12 | 2022 |
A framework for the development of targeted gas chromatography mass spectrometry (GC‐MS) methods: Synthetic cannabinoids E Sisco, A Burns, AS Moorthy Journal of forensic sciences 66 (5), 1908-1918, 2021 | 12 | 2021 |
Pattern similarity measures applied to mass spectra AS Moorthy, AJ Kearsley Progress in Industrial Mathematics: Success Stories: The Industry and the …, 2021 | 11 | 2021 |
Assessing the influence of reactor system design criteria on the performance of model colon fermentation units AS Moorthy, HJ Eberl Journal of bioscience and bioengineering 117 (4), 478-484, 2014 | 9 | 2014 |
NIST Mass Spectrometry Data Center standard reference libraries and software tools: Application to seized drug analysis WE Wallace, AS Moorthy Journal of forensic sciences 68 (5), 1484-1493, 2023 | 8 | 2023 |
Qualitative analysis of real drug evidence using DART-MS and the inverted library search algorithm E Sisco, MG Appley, SS Tennyson, AS Moorthy Journal of the American Society for Mass Spectrometry 33 (9), 1784-1793, 2022 | 8 | 2022 |
Melting and solidification of fats AS Moorthy Structure-Function Analysis of Edible Fats, 101-118, 2018 | 8 | 2018 |
The min-max test: an objective method for discriminating mass spectra AS Moorthy, E Sisco Analytical chemistry 93 (39), 13319-13325, 2021 | 7 | 2021 |
Development and evaluation of a synthetic cathinone targeted gas chromatography mass spectrometry (GC‐MS) method E Sisco, A Burns, AS Moorthy Journal of Forensic Sciences, 2021 | 7 | 2021 |
compuGUT: an in silico platform for simulating intestinal fermentation AS Moorthy, HJ Eberl SoftwareX 6, 237-242, 2017 | 7 | 2017 |
Incorporating measurement variability when comparing sets of high-resolution mass spectra MJ Roberts, AS Moorthy, E Sisco, AJ Kearsley Analytica Chimica Acta 1230, 340247, 2022 | 5 | 2022 |
Revisiting a model to predict pure triglyceride thermodynamic properties: parameter optimization and performance J Seilert, AS Moorthy, AJ Kearsley, E Flöter Journal of the American Oil Chemists' Society 98 (8), 837-850, 2021 | 5 | 2021 |