cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc26g4ys
title: CCDC 2039395: Experimental Crystal Structure Determination

description: Related Article: Anna Garbagnati, Michael Seidl, Gábor Balázs, Manfred Scheer|2021|Inorg.Chem.|60|5163|doi:10.1021/acs.inorgchem.1c00176
DOI: 10.5517/ccdc.csd.cc26g4zt
title: CCDC 2039396: Experimental Crystal Structure Determination

description: Related Article: Anna Garbagnati, Michael Seidl, Gábor Balázs, Manfred Scheer|2021|Inorg.Chem.|60|5163|doi:10.1021/acs.inorgchem.1c00176
DOI: 10.5517/ccdc.csd.cc26g50w
title: CCDC 2039397: Experimental Crystal Structure Determination

description: Related Article: Anna Garbagnati, Michael Seidl, Gábor Balázs, Manfred Scheer|2021|Inorg.Chem.|60|5163|doi:10.1021/acs.inorgchem.1c00176
DOI: 10.5517/ccdc.csd.cc26kn5m
title: CCDC 2042750: Experimental Crystal Structure Determination

description: Related Article: Cher-Chiek Chia, Yeow-Chuan Teo, Ning Cham, Samuel Ying-Fu Ho, Zhe-Hua Ng, Hui-Min Toh, Nicolas Mézailles, Cheuk-Wai So|2021|Inorg.Chem.|60|4569|doi:10.1021/acs.inorgchem.0c03507
DOI: 10.5517/ccdc.csd.cc26kn6n
title: CCDC 2042751: Experimental Crystal Structure Determination

description: Related Article: Cher-Chiek Chia, Yeow-Chuan Teo, Ning Cham, Samuel Ying-Fu Ho, Zhe-Hua Ng, Hui-Min Toh, Nicolas Mézailles, Cheuk-Wai So|2021|Inorg.Chem.|60|4569|doi:10.1021/acs.inorgchem.0c03507
DOI: 10.5517/ccdc.csd.cc26pltb
title: CCDC 2046552: Experimental Crystal Structure Determination

description: Related Article: Bronte J. Charette, Joseph W. Ziller, Alan F. Heyduk|2021|Inorg.Chem.|60|5367|doi:10.1021/acs.inorgchem.1c00351
DOI: 10.5517/ccdc.csd.cc26jtn7
title: CCDC 2041959: Experimental Crystal Structure Determination

description: Related Article: Isabell Schönrath, Vladimir B. Tsvetkov, Miquel Barceló-Oliver, Marian Hebenbrock, Timofei S. Zatsepin, Andrey V. Aralov, Jens Müller|2021|J.Inorg.Biochem.|219|111369|doi:10.1016/j.jinorgbio.2021.111369
DOI: 10.5517/ccdc.csd.cc26plvc
title: CCDC 2046553: Experimental Crystal Structure Determination

description: Related Article: Bronte J. Charette, Joseph W. Ziller, Alan F. Heyduk|2021|Inorg.Chem.|60|5367|doi:10.1021/acs.inorgchem.1c00351
DOI: 10.5517/ccdc.csd.cc26plwd
title: CCDC 2046554: Experimental Crystal Structure Determination

description: Related Article: Bronte J. Charette, Joseph W. Ziller, Alan F. Heyduk|2021|Inorg.Chem.|60|5367|doi:10.1021/acs.inorgchem.1c00351
DOI: 10.5517/ccdc.csd.cc26plxf
title: CCDC 2046555: Experimental Crystal Structure Determination

description: Related Article: Bronte J. Charette, Joseph W. Ziller, Alan F. Heyduk|2021|Inorg.Chem.|60|5367|doi:10.1021/acs.inorgchem.1c00351
DOI: 10.5517/ccdc.csd.cc26smc0
title: CCDC 2049452: Experimental Crystal Structure Determination

description: Related Article: xia chen|2020|CSD Communication|||
description: Related Article: Xia Chen, Yuling Lu, Zhenhua Guan, Lianghu Gu, Chunmei Chen, Hucheng Zhu, Zengwei Luo, Yonghui Zhang|2021|Org.Lett.|23|3173|doi:10.1021/acs.orglett.1c00888
DOI: 10.5517/ccdc.csd.cc26smd1
title: CCDC 2049453: Experimental Crystal Structure Determination

description: Related Article: xia chen|2020|CSD Communication|||
description: Related Article: Xia Chen, Yuling Lu, Zhenhua Guan, Lianghu Gu, Chunmei Chen, Hucheng Zhu, Zengwei Luo, Yonghui Zhang|2021|Org.Lett.|23|3173|doi:10.1021/acs.orglett.1c00888
DOI: 10.5517/ccdc.csd.cc26vl7x
title: CCDC 2051339: Experimental Crystal Structure Determination

description: Related Article: Yi Xie, Hui Cui, Hui Wu, Rui-Biao Lin, Wei Zhou, Banglin Chen|2021|Angew.Chem.,Int.Ed.|60|9604|doi:10.1002/anie.202100584
DOI: 10.5517/ccdc.csd.cc26vl8y
title: CCDC 2051340: Experimental Crystal Structure Determination

description: Related Article: Yi Xie, Hui Cui, Hui Wu, Rui-Biao Lin, Wei Zhou, Banglin Chen|2021|Angew.Chem.,Int.Ed.|60|9604|doi:10.1002/anie.202100584
DOI: 10.5517/ccdc.csd.cc26w80d
title: CCDC 2051983: Experimental Crystal Structure Determination

description: Related Article: Yuji Tada, Atsushi Sunada, Riki Watanabe, Makoto Kanazawa, Keiichiro Utsumi|2021|Inorg.Chem.|60|5014|doi:10.1021/acs.inorgchem.1c00054
DOI: 10.5517/ccdc.csd.cc26x49l
title: CCDC 2052829: Experimental Crystal Structure Determination

description: Related Article: Jimin Guo, Jianjian Zha, Tao Zhang, Chang-Hua Ding, Qitao Tan, Bin Xu|2021|Org.Lett.|23|3167|doi:10.1021/acs.orglett.1c00858
DOI: 10.5517/ccdc.csd.cc27268t
title: CCDC 2057695: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Org.Lett.|23|2971|doi:10.1021/acs.orglett.1c00649
DOI: 10.5517/ccdc.csd.cc27269v
title: CCDC 2057696: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Org.Lett.|23|2971|doi:10.1021/acs.orglett.1c00649
DOI: 10.5517/ccdc.csd.cc2726bw
title: CCDC 2057697: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Org.Lett.|23|2971|doi:10.1021/acs.orglett.1c00649
DOI: 10.5517/ccdc.csd.cc2726cx
title: CCDC 2057698: Experimental Crystal Structure Determination

description: Related Article: Jie Zhang, Zuowei Xie|2021|Org.Lett.|23|2971|doi:10.1021/acs.orglett.1c00649
DOI: 10.5517/ccdc.csd.cc272mzy
title: CCDC 2058120: Experimental Crystal Structure Determination

description: Related Article: Wen Wu, Jacqui Tehranchi De Hont, Riffat Parveen, Bess Vlaisavljevich, William B. Tolman|2021|Inorg.Chem.|60|5217|doi:10.1021/acs.inorgchem.1c00216
DOI: 10.5517/ccdc.csd.cc2759zq
title: CCDC 2060693: Experimental Crystal Structure Determination

description: Related Article: En-Chih Liu, Joseph J. Topczewski|2021|J.Am.Chem.Soc.|143|5308|doi:10.1021/jacs.1c01354
DOI: 10.5517/ccdc.csd.cc26w7zb
title: CCDC 2051982: Experimental Crystal Structure Determination

description: Related Article: Yuji Tada, Atsushi Sunada, Riki Watanabe, Makoto Kanazawa, Keiichiro Utsumi|2021|Inorg.Chem.|60|5014|doi:10.1021/acs.inorgchem.1c00054
DOI: 10.5517/ccdc.csd.cc256ndg
title: CCDC 2002395: Experimental Crystal Structure Determination

description: Related Article: Yongbing Shen, Hiroshi Ito, Haitao Zhang, Hideki Yamochi, Goulven Cosquer, Carmen Herrmann, Toshiaki Ina, Shinji K. Yoshina, Brian K. Breedlove, Akihiro Otsuka, Manabu Ishikawa, Takefumi Yoshida, Masahiro Yamashita|2021|J.Am.Chem.Soc.|143|4891|doi:10.1021/jacs.1c00455
DOI: 10.5517/ccdc.csd.cc27gwh3
title: CCDC 2069885: Experimental Crystal Structure Determination

description: Related Article: En-Chih Liu, Joseph J. Topczewski|2021|J.Am.Chem.Soc.|143|5308|doi:10.1021/jacs.1c01354
DOI: 10.5517/ccdc.csd.cc27gwl6
title: CCDC 2069888: Experimental Crystal Structure Determination

description: Related Article: En-Chih Liu, Joseph J. Topczewski|2021|J.Am.Chem.Soc.|143|5308|doi:10.1021/jacs.1c01354
DOI: 10.5281/zenodo.4699107
title: Symbolic data analysis as a tool for credit fraud detection Materials.zip

description: The supplementary materials for paper "Symbolic data analysis as a tool for credit fraud detection" - MDPI Econometrics
DOI: 10.5281/zenodo.4699106
title: Symbolic data analysis as a tool for credit fraud detection Materials.zip

description: The supplementary materials for paper "Symbolic data analysis as a tool for credit fraud detection" - MDPI Econometrics
DOI: 10.34740/kaggle/dsv/2131428
title: Contrastive Language Image Pretraining by openai
DOI: 10.6084/m9.figshare.14237705
title: Datasets (raw) used for MSc Thesis

description: Raw data used in MSc Thesis. Available for reproducing methodology
DOI: 10.6084/m9.figshare.13636157
title: An Interactive Detector for Spatial Associations: Data and Codes

description: Data and codes in the paper "An interactive detector of spatial associations".<br>In the figshare site, 19 files are provided. The files include:<br>(1) “Data and codes.pdf”This file contains data and codes used to create all figures in the manuscript.<br>(2) Six “.rda” files, including “simdata.rda”, “data.figure6.rda”, “data.figure7.rda”, “data.figure9.rda”, “data.figure11.rda” and “data.figure12.rda”The “.rda” files are the datasets used to create figures 2, 3, 4, 6, 7, 9, 11 and 12. Data used to create other figures are listed in tables in the file “Data and codes.pdf”.<br>(3) “model.R”The IDSA model code can be run in R using “model.R” with the simulation dataset “simdata.rda”.<br>(4) Other 11 “.R” filesThey are used to compute and visualize the IDSA model in this study. Codes of using these functions are presented in the “Data and codes.pdf” and “model.R”.<br>
DOI: 10.6084/m9.figshare.13636157.v1
title: An Interactive Detector for Spatial Associations: Data and Codes

description: Data and codes in the paper "An interactive detector of spatial associations".<br>In the figshare site, 19 files are provided. The files include:<br>(1) “Data and codes.pdf”This file contains data and codes used to create all figures in the manuscript.<br>(2) Six “.rda” files, including “simdata.rda”, “data.figure6.rda”, “data.figure7.rda”, “data.figure9.rda”, “data.figure11.rda” and “data.figure12.rda”The “.rda” files are the datasets used to create figures 2, 3, 4, 6, 7, 9, 11 and 12. Data used to create other figures are listed in tables in the file “Data and codes.pdf”.<br>(3) “model.R”The IDSA model code can be run in R using “model.R” with the simulation dataset “simdata.rda”.<br>(4) Other 11 “.R” filesThey are used to compute and visualize the IDSA model in this study. Codes of using these functions are presented in the “Data and codes.pdf” and “model.R”.<br>
DOI: 10.21227/7vkq-9164
title: MAB Algorithms for Single and Concurrent Millimeter Wave Indoor Beamforming Training

description: This file contains the MAB algorithms for millimeter wave (mmWave) beamforming training (BT) in Indoor environmentfor both single beam and concurrent beams scenarios. The algorithms were developed using MATLAB software and they are making use of the following data set“E. M. Mohamed, k. Sakaguchi, and S. Sampei, “Millimeter wave indoor channel dataset,” 2021. [Online]. Available: https://dx.doi.org/10.21227/ehb1-9j69”
DOI: 10.6084/m9.figshare.14445249
title: DEGS.txt.xlsx

description: Transcription analysis
DOI: 10.6084/m9.figshare.14445246
title: Ancient Chinese Data

description: Ancient Chinese Words Data Photos to the public, and it is open source.<br>Chinese: 5218 wordsOracle: 1016 wordsXiaozhuan: 5104 wordsBronze: 1856 wordsTW: 5218 wordsChu Text: 1633 wordsQin Character: 1411 words
DOI: 10.6084/m9.figshare.14445246.v1
title: Ancient Chinese Data

description: Ancient Chinese Words Data Photos to the public, and it is open source.<br>Chinese: 5218 wordsOracle: 1016 wordsXiaozhuan: 5104 wordsBronze: 1856 wordsTW: 5218 wordsChu Text: 1633 wordsQin Character: 1411 words
DOI: 10.5281/zenodo.4699201
title: Predictions on bike sharing dataset using KNN

description: Predictions using KNN algorithm on dataset https://www.kaggle.com/c/184702-tu-ml-ws-19-bikesharing/overview
DOI: 10.5281/zenodo.4699200
title: Predictions on bike sharing dataset using KNN

description: Predictions using KNN algorithm on dataset https://www.kaggle.com/c/184702-tu-ml-ws-19-bikesharing/overview
DOI: 10.5281/zenodo.4699197
title: Auto_mpg predictions using knn with scaling and without scaling

description: Predictions made using KNN on dataset auto_mpg https://archive.ics.uci.edu/ml/datasets/Auto+MPG.
DOI: 10.5281/zenodo.4699196
title: Auto_mpg predictions using knn with scaling and without scaling

description: Predictions made using KNN on dataset auto_mpg https://archive.ics.uci.edu/ml/datasets/Auto+MPG.
DOI: 10.5281/zenodo.4699199
title: Dataset for Article in MDPI Remote Sensing Journal -Manuscript ID: remotesensing-1168493

description: This is the dataset derived from the research survey which investigated whether Earth Observation (EO) can be utilized in formal education in order to promote Climate Change Education (CCE). The survey was based on semi-structured interviews with 84 in-service Greek teachers, and conducted from December 2018 to May 2019. For more information on the results of the research survey can be found on the related article in MDPI Remote Sensing Journal -Manuscript ID: remotesensing-1168493
DOI: 10.5281/zenodo.4699198
title: Dataset for Article in MDPI Remote Sensing Journal -Manuscript ID: remotesensing-1168493

description: This is the dataset derived from the research survey which investigated whether Earth Observation (EO) can be utilized in formal education in order to promote Climate Change Education (CCE). The survey was based on semi-structured interviews with 84 in-service Greek teachers, and conducted from December 2018 to May 2019. For more information on the results of the research survey can be found on the related article in MDPI Remote Sensing Journal -Manuscript ID: remotesensing-1168493
DOI: 10.15161/oar.it/73669
title: CovidStat project data

description: This record contains the daily updated data of the CovidStat project. CovidStat is a project carried out by the CovidStat Working Group at INFN, whose creation was promoted within the Italian National Institute of Nuclear Physics with the aim of making a statistical analysis of the data provided daily by the Civil Protection on the spread of the pandemic in Italy. CovidStat data can interactively be browsed at https://covid19.infn.it.
description: The software to process this Root TTree is in the related identifier. Be sure to use the right corresponding version, based on the data in which Root TTree was generated.
DOI: 10.6084/m9.figshare.14445234
title: CRSi_EtG_BRS_SWS_399.sav

description: The data set consists of the 20-items inter-religious Centrality of Religiosity (CRSi) Scale, the 16-items emotions towards God scale, the 6-items Brief Resilience Scale, and 8-items student wellness scale. Background demographics included: age, gender, and religion. The data set also included the already converted CRSi-14 items and the various sub scales. In total, 399 valid responses from university students completed the survey. No identifying information are included in the data set.
DOI: 10.6084/m9.figshare.14445234.v2
title: CRSi_EtG_BRS_SWS_399.sav

description: The data set consists of the 20-items inter-religious Centrality of Religiosity (CRSi) Scale, the 16-items emotions towards God scale, the 6-items Brief Resilience Scale, and 8-items student wellness scale. Background demographics included: age, gender, and religion. The data set also included the already converted CRSi-14 items and the various sub scales. In total, 399 valid responses from university students completed the survey. No identifying information are included in the data set.
DOI: 10.6084/m9.figshare.14445234.v1
title: CRSi_EtG_BRS_SWS_399.sav

description: The data set consists of the 20-items inter-religious Centrality of Religiosity (CRSi) Scale, the 16-items emotions towards God scale, the 6-items Brief Resilience Scale, and 8-items student wellness scale. Background demographics included: age, gender, and religion. The data set also included the already converted CRSi-14 items and the various sub scales. In total, 399 valid responses from university students completed the survey. No identifying information are included in the data set.
DOI: 10.5281/zenodo.4699203
title: Motor imagery EEG data of the same joint

description: The Dataset includes three-classes motor imagery EEG signals within seven subjects. And the EEG signal is recorded by Emotive Epoc+, which includes 14 electrodes. The sampling rate is128 Hz. The equipment is placed according to the standard international 10-20 system.
DOI: 10.5281/zenodo.4699202
title: Motor imagery EEG data of the same joint

description: The Dataset includes three-classes motor imagery EEG signals within seven subjects. And the EEG signal is recorded by Emotive Epoc+, which includes 14 electrodes. The sampling rate is128 Hz. The equipment is placed according to the standard international 10-20 system.
DOI: 10.6084/m9.figshare.14445273
title: Mangifera caloneura.gb

description: Mangifera caloneura choloplast geneome
DOI: 10.6084/m9.figshare.14445273.v1
title: Mangifera caloneura.gb

description: Mangifera caloneura choloplast geneome
DOI: 10.5281/zenodo.4699233
title: HofsteeCalcDataSets

description: These are the input data spreadsheets (.csv format) used to demonstrate the App HofsteeCalc https://play.google.com/store/apps/details?id=appinventor.ai_itmeded.HofsteeCalc
description: They can be used to test the HofsteeCalc app at: https://play.google.com/store/apps/details?id=appinventor.ai_itmeded.HofsteeCalc
DOI: 10.5281/zenodo.4699232
title: HofsteeCalcDataSets

description: These are the input data spreadsheets (.csv format) used to demonstrate the App HofsteeCalc https://play.google.com/store/apps/details?id=appinventor.ai_itmeded.HofsteeCalc
description: They can be used to test the HofsteeCalc app at: https://play.google.com/store/apps/details?id=appinventor.ai_itmeded.HofsteeCalc
DOI: 10.5281/zenodo.4699219
title: Dataset: Explainable artificial intelligence for mechanics: physics-informing neural networks for constitutive models

description: The research data associated with Koeppe, Bamer, Selzer, Nestler, and Markert, 2021, "Explainable artificial intelligence for mechanics: physics-informing neural networks for constitutive models". Corresponding author: Arnd Koeppe (arnd.koeppe@kit.edu) Available on https://kadi4mat.iam-cms.kit.edu/collections/30
description: The authors gratefully acknowledge financial support by the Federal Ministry of Education and Research (BMBF) in the projects FestBatt (project number 03XP0174E) and by the Ministry of Science, Research and Art Baden-Württemberg in the project MoMaF - Science Data Center, with funds from the state digitization strategy digital@bw (project number 57).
DOI: 10.5281/zenodo.4699218
title: Dataset: Explainable artificial intelligence for mechanics: physics-informing neural networks for constitutive models

description: The research data associated with Koeppe, Bamer, Selzer, Nestler, and Markert, 2021, "Explainable artificial intelligence for mechanics: physics-informing neural networks for constitutive models". Corresponding author: Arnd Koeppe (arnd.koeppe@kit.edu) Available on https://kadi4mat.iam-cms.kit.edu/collections/30
description: The authors gratefully acknowledge financial support by the Federal Ministry of Education and Research (BMBF) in the projects FestBatt (project number 03XP0174E) and by the Ministry of Science, Research and Art Baden-Württemberg in the project MoMaF - Science Data Center, with funds from the state digitization strategy digital@bw (project number 57).
DOI: 10.5517/ccdc.csd.cc24wwdb
title: CCDC 1993002: Experimental Crystal Structure Determination

description: Related Article: Manoj Trivedi, Abhinav Kumar, Ahmad Husain, Nigam P. Rath|2021|Inorg.Chem.|60|4385|doi:10.1021/acs.inorgchem.0c01937
DOI: 10.5517/ccdc.csd.cc24wwfc
title: CCDC 1993003: Experimental Crystal Structure Determination

description: Related Article: Manoj Trivedi, Abhinav Kumar, Ahmad Husain, Nigam P. Rath|2021|Inorg.Chem.|60|4385|doi:10.1021/acs.inorgchem.0c01937
DOI: 10.5517/ccdc.csd.cc25qs90
title: CCDC 2017892: Experimental Crystal Structure Determination

description: Related Article: Lídia Bofill, Rafael Barbas, Dafne de Sande, Mercè Font-Bardia, Clara Ràfols, Joan Albertí, Rafel Prohens|2021|Cryst.Growth Des.|21|2315|doi:10.1021/acs.cgd.0c01716
DOI: 10.5517/ccdc.csd.cc25qsd3
title: CCDC 2017895: Experimental Crystal Structure Determination

description: Related Article: Lídia Bofill, Rafael Barbas, Dafne de Sande, Mercè Font-Bardia, Clara Ràfols, Joan Albertí, Rafel Prohens|2021|Cryst.Growth Des.|21|2315|doi:10.1021/acs.cgd.0c01716
DOI: 10.5517/ccdc.csd.cc25qsf4
title: CCDC 2017896: Experimental Crystal Structure Determination

description: Related Article: Lídia Bofill, Rafael Barbas, Dafne de Sande, Mercè Font-Bardia, Clara Ràfols, Joan Albertí, Rafel Prohens|2021|Cryst.Growth Des.|21|2315|doi:10.1021/acs.cgd.0c01716
DOI: 10.5517/ccdc.csd.cc25qsg5
title: CCDC 2017897: Experimental Crystal Structure Determination

description: Related Article: Lídia Bofill, Rafael Barbas, Dafne de Sande, Mercè Font-Bardia, Clara Ràfols, Joan Albertí, Rafel Prohens|2021|Cryst.Growth Des.|21|2315|doi:10.1021/acs.cgd.0c01716
DOI: 10.5517/ccdc.csd.cc25qsj7
title: CCDC 2017899: Experimental Crystal Structure Determination

description: Related Article: Lídia Bofill, Rafael Barbas, Dafne de Sande, Mercè Font-Bardia, Clara Ràfols, Joan Albertí, Rafel Prohens|2021|Cryst.Growth Des.|21|2315|doi:10.1021/acs.cgd.0c01716
DOI: 10.25646/8364
title: Tagesdaten-CSV aus dem DIVI-Intensivregister

description: Die Tagesdaten-CSV entspricht einem Auszug der Daten des DIVI-Intensivregisters. Die Datei enthält eine Aggregation der aktuellsten Meldungen pro Landkreis. Es werden die aktuell gemeldeten Anzahlen der COVID-19 Intensivfälle sowie die gemeldeten intensivmedizinischen Behandlungskapazitäten angezeigt. Die Tagesdaten-CSV liefert dabei ausschließlich einen Blick auf die Daten gemäß dem Stand des betrachteten Tages. Die Daten sind im situationsbedingten Kontext aufbereitet, damit sind verschiedene Tagesdaten-CSVs u.U. nicht direkt miteinander vergleichbar. Die aktuellsten Meldungen werden im gewählten Betrachtungszeitfenster über alle Meldebereiche und Standorte aufsummiert. Weitere Informationen sind zu finden unter https://www.intensivregister.de/#/faq
DOI: 10.5281/zenodo.4699300
title: Matchms and PubChem cleaned MS/MS dataset from GNPS

description: Dataset of MS/MS spectra retrieved from GNPS (https://gnps.ucsd.edu) on 25/01/2021, which underwent extensive metadata cleaning. Metadata was cleaned and processed using matchms (https://github.com/matchms/matchms) and matchmsextras (https://github.com/matchms/matchmsextras). This largely consited of Empty spectra were removed. Compound names were cleaned charge, adduct, formula, ionmode fields were cleaned and corrected parent mass estimated were added (using precursor mz and adduct information) inchikey, inchi, and SMILES were checked and corrected Spectra which remained without inchi/inchikey/smiles were searched against pubchem based on their mass and name. This resulted in 210,407 spectra out of which 184,698 are annotated with InChIKey and SMILES and/or InChI. If you use this dataset for your research please cite the following: GNPS, e.g. [Wang, M. <em>et al.</em> Sharing and community curation of mass spectrometry data with GNPS. <em>Nat. Biotechnol. </em><strong>34</strong>, 828–837 (2016)] matchms: [ Huber, F. <em>et al.</em> matchms - processing and similarity evaluation of mass spectrometry data. <em>J. Open Source Softw. </em><strong>5</strong>, 2411 (2020) ] PubChem: [ Kim, S. <em>et al.</em> PubChem 2019 update: improved access to chemical data. <em>Nucleic Acids Res. </em><strong>47</strong>, D1102–D1109 (2019)] Many thanks!