David Scott Wishart

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David Scott



Publications in SciGraph latest 50 shown

  • 2021-11-15 A deep generative model enables automated structure elucidation of novel psychoactive substances in NATURE MACHINE INTELLIGENCE
  • 2021-10-30 Metabolomics in Exercise and Sports: A Systematic Review in SPORTS MEDICINE
  • 2021-07-19 Targeted metabolomics identifies high performing diagnostic and prognostic biomarkers for COVID-19 in SCIENTIFIC REPORTS
  • 2021-07-19 Chemical language models enable navigation in sparsely populated chemical space in NATURE MACHINE INTELLIGENCE
  • 2021-07-05 Accurate long-range forecasting of COVID-19 mortality in the USA in SCIENTIFIC REPORTS
  • 2021-04-27 CpG-ODN induced antimicrobial immunity in neonatal chicks involves a substantial shift in serum metabolic profiles in SCIENTIFIC REPORTS
  • 2021-01-04 Predicting PAMPA permeability using the 3D-RISM-KH theory: are we there yet? in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 2020-11-08 Workshop report: Toward the development of a human whole stool reference material for metabolomic and metagenomic gut microbiome measurements in METABOLOMICS
  • 2020-06-13 Serum metabolomics identifies metabolite panels that differentiate lame dairy cows from healthy ones in METABOLOMICS
  • 2020-04-24 Targeted metabolomics highlights perturbed metabolism in the brain of autism spectrum disorder sufferers in METABOLOMICS
  • 2020-02-06 Author Correction: Recombinant Incretin-Secreting Microbe Improves Metabolic Dysfunction in High-Fat Diet Fed Rodents in SCIENTIFIC REPORTS
  • 2020-01-18 Metabolomic Data Exploration and Analysis with the Human Metabolome Database in COMPUTATIONAL METHODS AND DATA ANALYSIS FOR METABOLOMICS
  • 2019-11-08 Gamma-aminobutyric acid-producing lactobacilli positively affect metabolism and depressive-like behaviour in a mouse model of metabolic syndrome in SCIENTIFIC REPORTS
  • 2019-10 The role of hydration effects in 5-fluorouridine binding to SOD1: insight from a new 3D-RISM-KH based protocol for including structural water in docking simulations in JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
  • 2019-08-29 Automated Tools for the Analysis of 1D-NMR and 2D-NMR Spectra in NMR-BASED METABOLOMICS
  • 2019-07-05 Impaired branched chain amino acid oxidation contributes to cardiac insulin resistance in heart failure in CARDIOVASCULAR DIABETOLOGY
  • 2019-06-28 Metabolomic profiling of the excretory–secretory products of hookworm and whipworm in METABOLOMICS
  • 2019-05-25 Protocols for NMR Analysis in Livestock Metabolomics in METABOLOMICS
  • 2019-05-22 Herbs and Spices- Biomarkers of Intake Based on Human Intervention Studies – A Systematic Review in GENES & NUTRITION
  • 2019-01-05 BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identification in JOURNAL OF CHEMINFORMATICS
  • 2018-09-29 Biomarker of food intake for assessing the consumption of dairy and egg products in GENES & NUTRITION
  • 2018-08-03 Metabolomic identification of diagnostic serum-based biomarkers for advanced stage melanoma in METABOLOMICS
  • 2018-07-28 Chemical Shift Index in ENCYCLOPEDIA OF BIOPHYSICS
  • 2018-06-08 Urine metabolic fingerprinting can be used to predict the risk of metritis and highlight the pathobiology of the disease in dairy cows in METABOLOMICS
  • 2018-05-30 Validation of biomarkers of food intake—critical assessment of candidate biomarkers in GENES & NUTRITION
  • 2018-04-16 The role of the Human Metabolome Database in inborn errors of metabolism in JOURNAL OF INHERITED METABOLIC DISEASE
  • 2018-02-20 Guidelines for Biomarker of Food Intake Reviews (BFIRev): how to conduct an extensive literature search for biomarker of food intake discovery in GENES & NUTRITION
  • 2018-02-12 Recommended strategies for spectral processing and post-processing of 1D 1H-NMR data of biofluids with a particular focus on urine in METABOLOMICS
  • 2017-12-12 A scheme for a flexible classification of dietary and health biomarkers in GENES & NUTRITION
  • 2017-12-01 Metabolomic prediction of endometrial cancer in METABOLOMICS
  • 2017-12-01 Rapid and reliable protein structure determination via chemical shift threading in JOURNAL OF BIOMOLECULAR NMR
  • 2017-10-19 Recombinant Incretin-Secreting Microbe Improves Metabolic Dysfunction in High-Fat Diet Fed Rodents in SCIENTIFIC REPORTS
  • 2017-09-29 Dietary and health biomarkers—time for an update in GENES & NUTRITION
  • 2017-07-04 Metallotyping of ketotic dairy cows reveals major alterations preceding, associating, and following the disease occurrence in METABOLOMICS
  • 2017-03-13 Microbiome and metabolome modifying effects of several cardiovascular disease interventions in apo-E−/− mice in MICROBIOME
  • 2017-02-27 Metabotyping reveals distinct metabolic alterations in ketotic cows and identifies early predictive serum biomarkers for the risk of disease in METABOLOMICS
  • 2016-12-08 AllerGen’s 8th research conference in ALLERGY, ASTHMA & CLINICAL IMMUNOLOGY
  • 2016-11-30 Peptide-based fluorescence biosensors for detection/measurement of nanoparticles in ANALYTICAL AND BIOANALYTICAL CHEMISTRY
  • 2016-11-08 SPLASH, a hashed identifier for mass spectra in NATURE BIOTECHNOLOGY
  • 2016-11-04 ClassyFire: automated chemical classification with a comprehensive, computable taxonomy in JOURNAL OF CHEMINFORMATICS
  • 2016-09-02 Metabolomics enables precision medicine: “A White Paper, Community Perspective” in METABOLOMICS
  • 2016-05-02 Serum metabolomic markers for traumatic brain injury: a mouse model in METABOLOMICS
  • 2016-03-11 Emerging applications of metabolomics in drug discovery and precision medicine in NATURE REVIEWS DRUG DISCOVERY
  • 2016-02-03 Identification of candidate biomarkers of brain damage in a mouse model of closed head injury: a metabolomic pilot study in METABOLOMICS
  • 2015-12-15 Sildenafil Therapy Normalizes the Aberrant Metabolomic Profile in the Comt−/− Mouse Model of Preeclampsia/Fetal Growth Restriction in SCIENTIFIC REPORTS
  • 2015-09-15 Metabolome analysis of 20 taxonomically related benzylisoquinoline alkaloid-producing plants in BMC PLANT BIOLOGY
  • 2015-09-07 A robust algorithm for optimizing protein structures with NMR chemical shifts in JOURNAL OF BIOMOLECULAR NMR
  • 2015-08-19 The human saliva metabolome in METABOLOMICS
  • 2015-06-16 Accessible surface area from NMR chemical shifts in JOURNAL OF BIOMOLECULAR NMR
  • 2015-06-03 NMR Exchange Format: a unified and open standard for representation of NMR restraint data in NATURE STRUCTURAL & MOLECULAR BIOLOGY
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