cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15156/bio/sh0038951.10fu
title: SH0038951.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh0038952.10fu
title: SH0038952.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh0038953.10fu
title: SH0038953.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh0038954.10fu
title: SH0038954.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh0038955.10fu
title: SH0038955.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh0038956.10fu
title: SH0038956.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15156/bio/sh0038957.10fu
title: SH0038957.10FU

description: UNITE provides a unified way for delimiting, identifying, communicating, and working with DNA-based Species Hypotheses (SH). All fungal ITS sequences in the international nucleotide sequence databases are clustered to approximately the species level by applying a set of dynamic distance values (<0.5 - 3.0%). All species hypotheses are given a unique, stable name in the form of a DOI, and their taxonomic and ecological annotations are verified through distributed, web-based third-party annotation efforts. SHs are connected to a taxon name and its classification as far as possible (phylum, class, order, etc.) by taking into account identifications for all sequences in the SH. An automatically or manually designated sequence is chosen to represent each such SH. These sequences are released (https://unite.ut.ee/repository.php) for use by the scientific community in, for example, local sequence similarity searches and next-generation sequencing analysis pipelines. The system and the data are updated automatically as the number of public fungal ITS sequences grows.
DOI: 10.15468/dl.4cr4s5
title: Occurrence Download

description: A dataset containing 17983 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Cupido alcetas",
 "HasCoordinate is true",
 "CoordinateUncertaintyInMeters is less than or equal to 5000",
 "Year is greater than or equal to 1970",
 "Country is one of (Italy, Switzerland, Germany, Austria, Slovenia, France)"
 ]
}

 The dataset includes 17983 records from 371 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0075473-251120083545085/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc14n7kl
title: CCDC 1062139: Experimental Crystal Structure Determination

description: Related Article: Zikai He|2015|CSD Communication|||
description: Related Article: Zikai He, Liuqing Zhang, Ju Mei, Tian Zhang, Jacky W. Y. Lam, Zhigang Shuai, Yong Qiang Dong, and Ben Zhong Tang|2015|Chem.Mater.|27|6601|doi:10.1021/acs.chemmater.5b02280
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.cc13szc7
title: CCDC 1036899: Experimental Crystal Structure Determination

description: Related Article: M.J.Yao, X.Ren, Z.F.Yue, G.Li|2015|Koord.Khim.|41|524|doi:10.1134/S1070328415070015
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/cc14nm2h
title: CCDC 1062496: Experimental Crystal Structure Determination

description: Related Article: Virginia San Nacianceno, Susan Azpeitia, Lourdes Ibarlucea, Claudio Mendicute-Fierro, Antonio Rodríguez-Diéguez, José M. Seco, Eider San Sebastian, María A. Garralda|2015|Dalton Trans.|44|13141|doi:10.1039/C5DT01705J
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.cc13szd8
title: CCDC 1036900: Experimental Crystal Structure Determination

description: Related Article: M.J.Yao, X.Ren, Z.F.Yue, G.Li|2015|Koord.Khim.|41|524|doi:10.1134/S1070328415070015
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/cc14pndw
title: CCDC 1063498: Experimental Crystal Structure Determination

description: Related Article: Lina Nie,  Wei-Wei Xiong,  Peizhou Li,  Jianyu Han,  Guodong Zhang,  Shengming Yin,  Yanli Zhao,  Rong Xu,  Qichun Zhang|2014|J.Solid State Chem.|220|118|doi:10.1016/j.jssc.2014.08.018
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.cc14pnhz
title: CCDC 1063501: Experimental Crystal Structure Determination

description: Related Article: Komal Aggarwal, Jitender M. Khurana|2017|J.Lumin.|187|457|doi:10.1016/j.jlumin.2017.03.040
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/cc14pnp5
title: CCDC 1063507: Experimental Crystal Structure Determination

description: Related Article: Jean-Michel Rueff ,  Olivier Perez ,  Vincent Caignaert ,  Gary Hix ,  Mathieu Berchel ,  François Quentel ,  and Paul-Alain Jaffrès|2015|Inorg.Chem.|54|2152|doi:10.1021/ic502395s
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/cc14pnq6
title: CCDC 1063508: Experimental Crystal Structure Determination

description: Related Article: Jean-Michel Rueff ,  Olivier Perez ,  Vincent Caignaert ,  Gary Hix ,  Mathieu Berchel ,  François Quentel ,  and Paul-Alain Jaffrès|2015|Inorg.Chem.|54|2152|doi:10.1021/ic502395s
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/cc14pnr7
title: CCDC 1063509: Experimental Crystal Structure Determination

description: Related Article: Jean-Michel Rueff ,  Olivier Perez ,  Vincent Caignaert ,  Gary Hix ,  Mathieu Berchel ,  François Quentel ,  and Paul-Alain Jaffrès|2015|Inorg.Chem.|54|2152|doi:10.1021/ic502395s
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/cc13w189
title: CCDC 1038880: Experimental Crystal Structure Determination

description: Related Article: Dong Liu, Yu Ge, Ni-Ya Li, Wei Ma, Xiao-Yan Tang|2015|RSC Advances|5|45467|doi:10.1039/C5RA07371E
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/cc14pp0j
title: CCDC 1063517: Experimental Crystal Structure Determination

description: Related Article: Alberto Toledo, Isabel Meana, Ana C. Albéniz|2015|Chem.-Eur.J.|21|13216|doi:10.1002/chem.201501813
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/cc14pp1k
title: CCDC 1063518: Experimental Crystal Structure Determination

description: Related Article: Wu Bin|2015|CSD Communication|||
description: Related Article: Bin Wu, Naohiko Yoshikai|2015|Angew.Chem.,Int.Ed.|54|8736|doi:10.1002/anie.201503134
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: 10.6084/m9.figshare.29995318
title: Hierarchical incremental learning deciphers molecular arrangements in multi-component materials

description: # Sample datasets

### data format:

&gt;dataSet_count.npy: A numpy array of size N1, consisting of integers from 1 to N1.

&gt;dataSet_dist.npy: A numpy matrix of shape (N1, M1, M1). The size of the Coulombic matrix is M1 × M1.

&gt;dataSet_name.npy: A numpy matrix of shape (N1, M1). Every row contains the atom set names.

### task A 

md1

md2

md3

md4

md5

md6

### task B 

md1

md2

md3

### task C 

md1

md2

md3

### task D 

md1

md2

### task E 

md1

md2

md3

md4

### task F 

md1

md2

md3

### task G 

md1

md2
DOI: 10.6084/m9.figshare.29995318.v1
title: Hierarchical incremental learning deciphers molecular arrangements in multi-component materials

description: # Sample datasets

### data format:

&gt;dataSet_count.npy: A numpy array of size N1, consisting of integers from 1 to N1.

&gt;dataSet_dist.npy: A numpy matrix of shape (N1, M1, M1). The size of the Coulombic matrix is M1 × M1.

&gt;dataSet_name.npy: A numpy matrix of shape (N1, M1). Every row contains the atom set names.

### task A 

md1

md2

md3

md4

md5

md6

### task B 

md1

md2

md3

### task C 

md1

md2

md3

### task D 

md1

md2

### task E 

md1

md2

md3

md4

### task F 

md1

md2

md3

### task G 

md1

md2
DOI: 10.5517/cc14pp2l
title: CCDC 1063519: Experimental Crystal Structure Determination

description: Related Article: Wu Bin|2015|CSD Communication|||
description: Related Article: Bin Wu, Naohiko Yoshikai|2015|Angew.Chem.,Int.Ed.|54|8736|doi:10.1002/anie.201503134
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: 10.15468/dl.ydmabg
title: Occurrence Download

description: A dataset containing 3 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Rattus rattus",
 "HasCoordinate is true",
 "Country is Ireland"
 ]
}

 The dataset includes 3 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0051853-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc14pp3m
title: CCDC 1063520: Experimental Crystal Structure Determination

description: Related Article: Wu Bin|2015|CSD Communication|||
description: Related Article: Bin Wu, Naohiko Yoshikai|2015|Angew.Chem.,Int.Ed.|54|8736|doi:10.1002/anie.201503134
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/cc14pp7r
title: CCDC 1063524: Experimental Crystal Structure Determination

description: Related Article: Bo Lv, Xingxing Shen, Jinchong Xiao, Jingdan Duan, Xuefei Wang, Yuanping Yi|2015|Chem.Asian J.|10|2677|doi:10.1002/asia.201500733
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/cc14pp8s
title: CCDC 1063525: Experimental Crystal Structure Determination

description: Related Article: Chao-Wei Zhao, Yan-An Li, Xue-Ru Wang, Gong-Jun Chen, Qi-Kui Liu, Jian-Ping Ma, Yu-Bin Dong|2015|Chem.Commun.|51|15906|doi:10.1039/C5CC06291H
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.ccytbnq
title: CCDC 888294: Experimental Crystal Structure Determination

description: Related Article: Vanessa Desplat, Marian Vincenzi, Romain Lucas, Stéphane Moreau, Solène Savrimoutou, Sandra Rubio, Noël Pinaud, David Bigat, Elodie Enriquez, Mathieu Marchivie, Sylvain Routier, Pascal Sonnet, Filomena Rossi, Luisa Ronga and Jean Guillon|2017|ChemMedChem|12|940|doi:10.1002/cmdc.201700049
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: 10.5281/zenodo.17422196
title: Nicotinonitrile-Based Dual Inhibitors of Tubulin and Topoisomerase II: Design, Synthesis, and Anticancer Evaluation: CADD raw data files

description: Complete raw data files of the computational modelling/screening done in the publication highlighted above. Work done using Maestro/Schrodinger 2025-2 (Glide, OPLS4).
DOI: 10.5517/cc13qn7q
title: CCDC 1034663: Experimental Crystal Structure Determination

description: Related Article: Bing Fang ,  Xiaohua Liu ,  Jiannan Zhao ,  Yu Tang ,  Lili Lin ,  and Xiaoming Feng|2015|J.Org.Chem.|80|3332|doi:10.1021/acs.joc.5b00075
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/cc14pp9t
title: CCDC 1063526: Experimental Crystal Structure Determination

description: Related Article: Majji Ganesh, Santosh K. Sahoo, Nilufa Khatun and Bhisma K. Patel|2015|Eur.J.Org.Chem.|2015|7534|doi:10.1002/ejoc.201501096
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: 10.5281/zenodo.17422195
title: Nicotinonitrile-Based Dual Inhibitors of Tubulin and Topoisomerase II: Design, Synthesis, and Anticancer Evaluation: CADD raw data files

description: Complete raw data files of the computational modelling/screening done in the publication highlighted above. Work done using Maestro/Schrodinger 2025-2 (Glide, OPLS4).
DOI: 10.5517/cc13qnvb
title: CCDC 1034682: Experimental Crystal Structure Determination

description: Related Article: Bing Fang ,  Xiaohua Liu ,  Jiannan Zhao ,  Yu Tang ,  Lili Lin ,  and Xiaoming Feng|2015|J.Org.Chem.|80|3332|doi:10.1021/acs.joc.5b00075
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.