E-LIB Suche - Ergebnisse für: Grant, David F

1

Combining Experimental with Computational Infrared and Mass..:

Karunaratne, Erandika ; Hill, Dennis W. ; Dührkop, Kai..
Analytical Chemistry. 95 (2023) 32 - p. 11901-11907 , 2023

Link: https://doi.org/10.1021/..

2

High-Throughput Non-targeted Chemical Structure Identificat..:

Karunaratne, Erandika ; Hill, Dennis W. ; Pracht, Philipp...
Analytical Chemistry. 93 (2021) 30 - p. 10688-10696 , 2021

Link: https://doi.org/10.1021/..

3

Comprehensive Assessment of GFN Tight-Binding and Composite..:

Pracht, Philipp ; Grant, David F. ; Grimme, Stefan
Journal of Chemical Theory and Computation. 16 (2020) 11 - p. 7044-7060 , 2020

Link: https://doi.org/10.1021/..

4

Evaluation of an Artificial Neural Network Retention Index ..:

Samaraweera, Milinda A. ; Hall, L. Mark ; Hill, Dennis W..
Analytical Chemistry. 90 (2018) 21 - p. 12752-12760 , 2018

Link: https://doi.org/10.1021/..

5

Development of a Reverse Phase HPLC Retention Index Model f..:

Hall, L. Mark ; Hill, Dennis W. ; Bugden, Kelly...
Journal of Chemical Information and Modeling. 58 (2018) 3 - p. 591-604 , 2018

Link: https://doi.org/10.1021/..

6

Yale school of public health symposium on lifetime exposure..:

Johnson, Caroline H. ; Athersuch, Toby J. ; Collman, Gwen W....
Human Genomics. 11 (2017) 1 - p. , 2017

Link: https://doi.org/10.1186/..

7

Metabolic Pathway Predictions for Metabolomics: A Molecular..:

Hamdalla, Mai A. ; Rajasekaran, Sanguthevar ; Grant, David F..
Journal of Chemical Information and Modeling. 55 (2015) 3 - p. 709-718 , 2015

Link: https://doi.org/10.1021/..

8

Correction of precursor and product ion relative abundances..:

Dubey, Ritvik ; Hill, Dennis W. ; Lai, Steven..
Metabolomics. 11 (2014) 3 - p. 753-763 , 2014

Link: https://doi.org/10.1007/..

9

Ion Mobility-Derived Collision Cross Section As an Addition..:

Paglia, Giuseppe ; Angel, Peggi ; Williams, Jonathan P....
Analytical Chemistry. 87 (2014) 2 - p. 1137-1144 , 2014

Link: https://doi.org/10.1021/..

10

CHEMICAL STRUCTURE IDENTIFICATION IN METABOLOMICS: COMPUTAT..:

Menikarachchi, Lochana C. ; Hamdalla, Mai A. ; Hill, Dennis W..
Computational and Structural Biotechnology Journal. 5 (2013) 6 - p. e201302005 , 2013

Link: https://doi.org/10.5936/..

11

In Silico Enzymatic Synthesis of a 400 000 Compound Biochem..:

Menikarachchi, Lochana C. ; Hill, Dennis W. ; Hamdalla, Mai A...
Journal of Chemical Information and Modeling. 53 (2013) 9 - p. 2483-2492 , 2013

Link: https://doi.org/10.1021/..

12

BioSM: Metabolomics Tool for Identifying Endogenous Mammali..:

Hamdalla, Mai A. ; Mandoiu, Ion I. ; Hill, Dennis W...
Journal of Chemical Information and Modeling. 53 (2013) 3 - p. 601-612 , 2013

Link: https://doi.org/10.1021/..

13

MolFind: A Software Package Enabling HPLC/MS-Based Identifi..:

Menikarachchi, Lochana C. ; Cawley, Shannon ; Hill, Dennis W....
Analytical Chemistry. 84 (2012) 21 - p. 9388-9394 , 2012

Link: https://doi.org/10.1021/..

14

Development of Ecom50 and Retention Index Models for Nontar..:

Hall, L. Mark ; Hall, Lowell H. ; Kertesz, Tzipporah M....
Journal of Chemical Information and Modeling. 52 (2012) 5 - p. 1222-1237 , 2012

Link: https://doi.org/10.1021/..

15

Correlation of Ecom50 values between mass spectrometers: ef..:

Hill, Dennis W. ; Baveghems, Clive L. ; Albaugh, Daniel R....
Rapid Communications in Mass Spectrometry. 26 (2012) 19 - p. 2303-2310 , 2012

Link: https://doi.org/10.1002/..