Tobias Kind - RankMe

15 papers A* 1Journal 14

Year	Rank	Type	Title / Venue / Authors
2024	J	`jnl`	Evaluating the generalizability of graph neural networks for predicting collision cross section. J. Cheminformatics Chloe Engler Hart, António J. Preto, Shaurya Chanana, David Healey, Tobias Kind, Daniel Domingo-Fernández
2023	A*	`conf`	Efficiently predicting high resolution mass spectra with graph neural networks. ICML Michael Murphy, Stefanie Jegelka, Ernest Fraenkel, Tobias Kind, David Healey, Thomas Butler
2023	J	`jnl`	Efficiently predicting high resolution mass spectra with graph neural networks. CoRR Michael Murphy, Stefanie Jegelka, Ernest Fraenkel, Tobias Kind, David Healey, Thomas Butler
2022	J	`jnl`	Beyond the Ground State: Predicting Electron Ionization Mass Spectra Using Excited-State Molecular Dynamics. J. Chem. Inf. Model. Shunyang Wang, Tobias Kind, Parker Ladd Bremer, Dean J. Tantillo, Oliver Fiehn
2022	J	`jnl`	How Well Can We Predict Mass Spectra from Structures? Benchmarking Competitive Fragmentation Modeling for Metabolite Identification on Untrained Tandem Mass Spectra. J. Chem. Inf. Model. Parker Ladd Bremer, Arpana Vaniya, Tobias Kind, Shunyang Wang, Oliver Fiehn
2020	J	`jnl`	Predicting in silico electron ionization mass spectra using quantum chemistry. J. Cheminformatics Shunyang Wang, Tobias Kind, Dean J. Tantillo, Oliver Fiehn
2017	J	`jnl`	Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy. J. Cheminformatics Ivana Blazenovic, Tobias Kind, Hrvoje Torbasinovic, Slobodan Obrenovic, Sajjan S. Mehta, Hiroshi Tsugawa, Tobias Wermuth, Nicolas Schauer, Martina Jahn, Rebekka Biedendieck, Dieter Jahn, Oliver Fiehn
2017	J	`jnl`	Critical Assessment of Small Molecule Identification 2016: automated methods. J. Cheminformatics Emma Schymanski, Christoph Ruttkies, Martin Krauss, Céline Brouard, Tobias Kind, Kai Dührkop, Felicity Allen, Arpana Vaniya, Dries Verdegem, Sebastian Böcker, Juho Rousu, Huibin Shen, Hiroshi Tsugawa, Tanvir Sajed, Oliver Fiehn, Bart Ghesquière, Steffen Neumann
2015	J	`jnl`	An in silico MS/MS library for automatic annotation of novel FAHFA lipids. J. Cheminformatics Yan Ma, Tobias Kind, Arpana Vaniya, Ingrid Gennity, Johannes F. Fahrmann, Oliver Fiehn
2015	J	`jnl`	MINEs: open access databases of computationally predicted enzyme promiscuity products for untargeted metabolomics. J. Cheminformatics James G. Jeffryes, Ricardo L. Colastani, Mona Elbadawi-Sidhu, Tobias Kind, Thomas D. Niehaus, Linda J. Broadbelt, Andrew D. Hanson, Oliver Fiehn, Keith E. J. Tyo, Christopher S. Henry
2012	J	`jnl`	MetaMapp: mapping and visualizing metabolomic data by integrating information from biochemical pathways and chemical and mass spectral similarity. BMC Bioinform. Dinesh Kumar Barupal, Pradeep Kumar Haldiya, Gert Wohlgemuth, Tobias Kind, Shanker L. Kothari, Kent E. Pinkerton, Oliver Fiehn
2010	J	`jnl`	The Chemical Translation Service - a web-based tool to improve standardization of metabolomic reports. Bioinform. Gert Wohlgemuth, Pradeep Kumar Haldiya, Egon L. Willighagen, Tobias Kind, Oliver Fiehn
2009	J	`jnl`	Software platform virtualization in chemistry research and university teaching. J. Cheminformatics Tobias Kind, Tim Leamy, Julie A. Leary, Oliver Fiehn
2007	J	`jnl`	Seven Golden Rules for heuristic filtering of molecular formulas obtained by accurate mass spectrometry. BMC Bioinform. Tobias Kind, Oliver Fiehn
2006	J	`jnl`	Metabolomic database annotations viaquery of elemental compositions: Mass accuracy is insufficient even at less than 1 ppm. BMC Bioinform. Tobias Kind, Oliver Fiehn