cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7684618
title: PubChemLite for Exposomics

description: This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
description: These files can be used "as is" for MetFrag (command line) and other high throughput workflows. Please do <b>NOT</b> <em>upload</em> these files directly to the MetFrag web interface, they are too large. The latest updates will be available in a drop-down menu.
description: {"references": ["Schymanski, E.L., Kondi\u0107, T., Neumann, S. et al. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J Cheminform 13, 19 (2021). https://doi.org/10.1186/s13321-021-00489-0"]}
DOI: 10.5281/zenodo.7788370
title: PubChemLite for Exposomics

description: This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
description: These files can be used "as is" for MetFrag (command line) and other high throughput workflows. Please do <b>NOT</b> <em>upload</em> these files directly to the MetFrag web interface, they are too large. The latest updates will be available in a drop-down menu.
description: {"references": ["Schymanski, E.L., Kondi\u0107, T., Neumann, S. et al. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J Cheminform 13, 19 (2021). https://doi.org/10.1186/s13321-021-00489-0"]}
DOI: 10.5281/zenodo.7878471
title: PubChemLite for Exposomics

description: This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
description: These files can be used "as is" for MetFrag (command line) and other high throughput workflows. Please do <b>NOT</b> <em>upload</em> these files directly to the MetFrag web interface, they are too large. The latest updates will be available in a drop-down menu.
description: {"references": ["Schymanski, E.L., Kondi\u0107, T., Neumann, S. et al. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J Cheminform 13, 19 (2021). https://doi.org/10.1186/s13321-021-00489-0"]}
DOI: 10.5281/zenodo.7973696
title: PubChemLite for Exposomics

description: This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
description: These files can be used "as is" for MetFrag (command line) and other high throughput workflows. Please do <b>NOT</b> <em>upload</em> these files directly to the MetFrag web interface, they are too large. The latest updates will be available in a drop-down menu.
description: {"references": ["Schymanski, E.L., Kondi\u0107, T., Neumann, S. et al. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J Cheminform 13, 19 (2021). https://doi.org/10.1186/s13321-021-00489-0"]}
DOI: 10.5281/zenodo.8191746
title: PubChemLite for Exposomics

description: This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
description: These files can be used "as is" for MetFrag (command line) and other high throughput workflows. Please do <b>NOT</b> <em>upload</em> these files directly to the MetFrag web interface, they are too large. The latest updates will be available in a drop-down menu.
description: {"references": ["Schymanski, E.L., Kondi\u0107, T., Neumann, S. et al. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J Cheminform 13, 19 (2021). https://doi.org/10.1186/s13321-021-00489-0"]}
DOI: 10.5281/zenodo.8285969
title: PubChemLite for Exposomics

description: This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
description: These files can be used "as is" for MetFrag (command line) and other high throughput workflows. Please do <b>NOT</b> <em>upload</em> these files directly to the MetFrag web interface, they are too large. The latest updates will be available in a drop-down menu.
description: {"references": ["Schymanski, E.L., Kondi\u0107, T., Neumann, S. et al. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J Cheminform 13, 19 (2021). https://doi.org/10.1186/s13321-021-00489-0"]}
DOI: 10.5281/zenodo.8388748
title: PubChemLite for Exposomics

description: This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
description: These files can be used "as is" for MetFrag (command line) and other high throughput workflows. Please do <b>NOT</b> <em>upload</em> these files directly to the MetFrag web interface, they are too large. The latest updates will be available in a drop-down menu.
description: {"references": ["Schymanski, E.L., Kondi\u0107, T., Neumann, S. et al. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J Cheminform 13, 19 (2021). https://doi.org/10.1186/s13321-021-00489-0"]}
DOI: 10.5281/zenodo.8099155
title: PubChemLite for Exposomics

description: This is the repository for regular updates of the PubChemLite for Exposomics data collection. PubChemLite for Exposomics is a subset of PubChem selected from major categories of the Table of Contents page at the PubChem Classification Browser, described in DOI:10.1186/s13321-021-00489-0. PubChemLite for Exposomics is compiled from 10 categories: AgroChemInfo, BioPathway, DrugMedicInfo, FoodRelated, PharmacoInfo, SafetyInfo, ToxicityInfo, KnownUse, DisorderDisease, Identification. PubChemCIDs have been collapsed by InChIKey first block, reporting the structure from the most annotated CID, plus related CIDs. Entries that will be ignored by MetFrag (salts, disconnected substances) or cause errors (e.g. transition metals) have been removed. The Patent and PubMed ID counts are extracted from files on the PubChem FTP site. The `AnnoTypeCount' term counts how many of the categories are represented, the subsequent column (named per category) counts the number of annotation categories available in the next sub-category of the TOC entry. These files can be used `as is' as localCSV for MetFrag Command Line.
description: These files can be used "as is" for MetFrag (command line) and other high throughput workflows. Please do <b>NOT</b> <em>upload</em> these files directly to the MetFrag web interface, they are too large. The latest updates will be available in a drop-down menu.
description: {"references": ["Schymanski, E.L., Kondi\u0107, T., Neumann, S. et al. Empowering large chemical knowledge bases for exposomics: PubChemLite meets MetFrag. J Cheminform 13, 19 (2021). https://doi.org/10.1186/s13321-021-00489-0"]}
DOI: 10.5281/zenodo.15574016
title: ACEM 9999 - raw data
DOI: 10.5281/zenodo.15574017
title: ACEM 9999 - raw data
DOI: 10.5281/zenodo.15574019
title: 증명 업적
DOI: 10.5281/zenodo.15574020
title: 증명 업적
DOI: 10.25549/inscriptifact-ouc110828289
title: Persepolis Fortification Elamite Tablet 0831, PF 0831

description: [Text Description:] Administrative text with seal ❧ [Text or Publication Number Note:] PF 0831 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impression on left edge. ❧ [Physical Object Note:] Damage on left edge, cracks and damage on obverse. Crack on right edge, upper edge.
DOI: 10.5517/ccdc.csd.cc2d3xt8
title: CCDC 2208310: Experimental Crystal Structure Determination

description: Related Article: Rose Jordan|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2j5fsy
title: CCDC 2328930: Experimental Crystal Structure Determination

description: Related Article: Qi Xiong, Jia-Yue Yuan, You-Chao Liu, Yao-Sheng Zhang, Ye-Xin Wang, Zhi-Rong Wu, Xing-Quan Tao, Cong-Hui Wu, Xin-Yu Hui, Song Gao, Shen Zhou, Shang-Da Jiang|2025|CSD Communication|||
description: Related Article: Qi Xiong, Jia Yue Yuan, You Chao Liu, Yao Sheng Zhang, Zhi Rong Wu, Xing Quan Tao, Cong Hui Wu, Xin Yu Hui, Song Gao, Ye Xin Wang, Shen Zhou, Shang Da Jiang|2025|Angew.Chem.,Int.Ed.|64|e202500662|doi:10.1002/anie.202500662
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2j9nxf
title: CCDC 2332995: Experimental Crystal Structure Determination

description: Related Article: qiuyue zhang|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25549/inscriptifact-ouc110828287
title: Persepolis Fortification Elamite Tablet 0831, PF 0831

description: [Text Description:] Administrative text with seal ❧ [Text or Publication Number Note:] PF 0831 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impression on left edge. ❧ [Physical Object Note:] Damage on left edge, cracks and damage on obverse. Crack on right edge, upper edge.
DOI: 10.5517/ccdc.csd.cc2jkc6p
title: CCDC 2340382: Experimental Crystal Structure Determination

description: Related Article: Haug, Iris, Naumann, Stefan|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2jlch0
title: CCDC 2341352: Experimental Crystal Structure Determination

description: Related Article: Guofu Zi|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2jlyvy
title: CCDC 2341921: Experimental Crystal Structure Determination

description: Related Article: Hsiang-Jung Lee, Kai-Cheng Zhong, Jyh-Chien Chen|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25549/inscriptifact-ouc110828188
title: Persepolis Fortification Elamite Tablet 0831, PF 0831

description: [Text Description:] Administrative text with seal ❧ [Text or Publication Number Note:] PF 0831 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impression on left edge. ❧ [Physical Object Note:] Damage on left edge, cracks and damage on obverse. Crack on right edge, upper edge.
DOI: 10.5517/ccdc.csd.cc2jlywz
title: CCDC 2341922: Experimental Crystal Structure Determination

description: Related Article: Hsiang-Jung Lee, Kai-Cheng Zhong, Jyh-Chien Chen, Wen-Xiu Li|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2jlyy1
title: CCDC 2341924: Experimental Crystal Structure Determination

description: Related Article: Kai-Cheng Zhong, Wen-Xiu Li, Hsiang-Jung Lee, Jyh-Chien Chen|2025|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2jqy7g
title: CSD 2345746: Experimental Crystal Structure Determination

description: Related Article: Barak Ratzker, Bar Favelukis, Mark Baranov, Yugal Rathod, Avia Greenberg, Dor A. Goldstein, Or Messer, Alex Upcher, Vladimir Ezersky, Nitzan Maman, Ido Biran, Varun Natu, Maxim Sokol|2025|CSD Communication|||
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25549/inscriptifact-ouc110828159
title: Persepolis Fortification Elamite Tablet 0831, PF 0831

description: [Text Description:] Administrative text with seal ❧ [Text or Publication Number Note:] PF 0831 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impression on left edge. ❧ [Physical Object Note:] Damage on left edge, cracks and damage on obverse. Crack on right edge, upper edge.
DOI: 10.5517/ccdc.csd.cc2jqyfn
title: CSD 2345752: Experimental Crystal Structure Determination

description: Related Article: Barak Ratzker, Bar Favelukis, Mark Baranov, Yugal Rathod, Avia Greenberg, Dor A. Goldstein, Or Messer, Alex Upcher, Vladimir Ezersky, Nitzan Maman, Ido Biran, Varun Natu, Maxim Sokol|2025|CSD Communication|||
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25549/inscriptifact-ouc110828076
title: Persepolis Fortification Elamite Tablet 0831, PF 0831

description: [Text Description:] Administrative text with seal ❧ [Text or Publication Number Note:] PF 0831 ❧ [Excavation Description:] Found during Oriental Institute's excavations in Spring, 1933, near the northeastern corner of the stone platform of Persepolis, in two small rooms of a bastion in the fortification wall ❧ [Medium:] Clay ❧ [Script Note:] Non-Alphabetic Cuneiform ❧ [Physical Object Description:] Clay tablet with cuneiform text. Seal impression on left edge. ❧ [Physical Object Note:] Damage on left edge, cracks and damage on obverse. Crack on right edge, upper edge.