cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1mj207
title: CCDC 1504988: Experimental Crystal Structure Determination

description: Related Article: Rupali Vaid, Monika Gupta, Vivek K. Gupta|2017|J.Iran.Chem.Soc.|14|2199|doi:10.1007/s13738-017-1156-3
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.cc14m4qm
title: CCDC 1061090: Experimental Crystal Structure Determination

description: Related Article: Rupali Vaid, Monika Gupta, Vivek K. Gupta|2017|J.Iran.Chem.Soc.|14|2199|doi:10.1007/s13738-017-1156-3
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.cc1mhzy1
title: CCDC 1504924: Experimental Crystal Structure Determination

description: Related Article: E.A. Bakhite, M. Kaur, S.K. Mohamed, M. Akkurt, J.P. Jasinski, M.R. Albayati|2016|IUCrData|1|x161474|doi:10.1107/S2414314616014747
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.cc1mj218
title: CCDC 1504989: Experimental Crystal Structure Determination

description: Related Article: A. Sowmya, G.N. Anil Kumar, S. Kumar, S.S. Karki|2016|Acta Crystallogr.,Sect.E:Cryst.Commun.|72|1460|doi:10.1107/S2056989016014754
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.cc1mj229
title: CCDC 1504990: Experimental Crystal Structure Determination

description: Related Article: Minjie Guo,  Xuemei Wang,  Caihong Zhan,  Paul Demay-Drouhard,  Wenjiao Li,  Ke Du,  Mark A. Olson,  Han Zuilhof,  Andrew C.-H. Sue|2018|J.Am.Chem.Soc.|140|74|doi:10.1021/jacs.7b10767
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.cc1mj1y4
title: CCDC 1504986: Experimental Crystal Structure Determination

description: Related Article: Sonu Kumar, Rakesh K. Saunthwal, Mohammad Mujahid, Trapti Aggarwal, Akhilesh K. Verma|2016|J.Org.Chem.|81|9912|doi:10.1021/acs.joc.6b02096
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.cc1469vh
title: CCDC 1048756: Experimental Crystal Structure Determination

description: Related Article: Wei-Chieh Hung, Marc Sigrist, Shao-An Hua, Lai-Chin Wu, Tsai-Jung Liu, Bih-Yaw Jin, Gene-Hsiang Lee, Shie-Ming Peng|2016|Chem.Commun.|52|12380|doi:10.1039/C6CC07364F
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.cc1mhzz2
title: CCDC 1504925: Experimental Crystal Structure Determination

description: Related Article: Elisabeth A. Ziemann,  Norman Freudenreich,  Natascha Speil,  Timo Stein,  Nick Van Steerteghem,  Koen Clays,  Jürgen Heck|2016|J.Organomet.Chem.|820|125|doi:10.1016/j.jorganchem.2016.07.021
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.cc1mj1sz
title: CSD 1504981: Experimental Crystal Structure Determination

description: Related Article: Shu Guo, Xingxing Jiang, Lijuan Liu, Mingjun Xia, Zhi Fang, Xiaoyang Wang, Zheshuai Lin, Chuangtian Chen|2016|Chem.Mater.|28|8871|doi:10.1021/acs.chemmater.6b04403
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: 10.5517/ccdc.csd.cc1mj016
title: CCDC 1504927: Experimental Crystal Structure Determination

description: Related Article: Kai Chen,  Feng Wu,  Lijuan Ye,  Zi-You Tian,  Zhi-Xiang Yu,  Shifa Zhu|2016|J.Org.Chem.|81|8155|doi:10.1021/acs.joc.6b00792
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.cc1mj027
title: CCDC 1504928: Experimental Crystal Structure Determination

description: Related Article: Kai Chen,  Feng Wu,  Lijuan Ye,  Zi-You Tian,  Zhi-Xiang Yu,  Shifa Zhu|2016|J.Org.Chem.|81|8155|doi:10.1021/acs.joc.6b00792
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.cc1mj038
title: CCDC 1504929: Experimental Crystal Structure Determination

description: Related Article: Li Wang,  Tian Zhang,  Brandon K. Redden,  Cody I. Sheppard,  Robert W. Clark,  Mark D. Smith,  Sheryl L. Wiskur|2016|J.Org.Chem.|81|8187|doi:10.1021/acs.joc.6b01137
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.cc1mj049
title: CCDC 1504930: Experimental Crystal Structure Determination

description: Related Article: Li Wang,  Tian Zhang,  Brandon K. Redden,  Cody I. Sheppard,  Robert W. Clark,  Mark D. Smith,  Sheryl L. Wiskur|2016|J.Org.Chem.|81|8187|doi:10.1021/acs.joc.6b01137
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.15494675
title: Mars-Bench: mb-conequest_seg

description: This is a binary segmentation dataset focused on identifying volcanic cones on the Martian surface using CTX imagery. It was developed to support global mapping and morphologic analysis of small-scale volcanic landforms. The dataset spans six geographically diverse regions on Mars, capturing substantial variation in cone shape, size, and appearance, making it a challenging benchmark for model generalization. Each sample consists of an image and its corresponding binary mask, with all annotations created and validated by expert geologists to ensure scientific accuracy. Notably, the dataset includes negative samples (images without any cones), which introduces additional complexity by requiring models to correctly predict true negatives rather than detecting cones in every image. We provide metadata indicating which samples are negative, allowing users the flexibility to include or exclude them during training. This information can also be verified using simple image processing techniques.

 

To explore all Mars-Bench resources, visit our project website:

https://mars-bench.github.io/
DOI: 10.5517/ccdc.csd.cc1mj05b
title: CCDC 1504931: Experimental Crystal Structure Determination

description: Related Article: Li Wang,  Tian Zhang,  Brandon K. Redden,  Cody I. Sheppard,  Robert W. Clark,  Mark D. Smith,  Sheryl L. Wiskur|2016|J.Org.Chem.|81|8187|doi:10.1021/acs.joc.6b01137
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.15494674
title: Mars-Bench: mb-conequest_seg

description: This is a binary segmentation dataset focused on identifying volcanic cones on the Martian surface using CTX imagery. It was developed to support global mapping and morphologic analysis of small-scale volcanic landforms. The dataset spans six geographically diverse regions on Mars, capturing substantial variation in cone shape, size, and appearance, making it a challenging benchmark for model generalization. Each sample consists of an image and its corresponding binary mask, with all annotations created and validated by expert geologists to ensure scientific accuracy. Notably, the dataset includes negative samples (images without any cones), which introduces additional complexity by requiring models to correctly predict true negatives rather than detecting cones in every image. We provide metadata indicating which samples are negative, allowing users the flexibility to include or exclude them during training. This information can also be verified using simple image processing techniques.

 

To explore all Mars-Bench resources, visit our project website:

https://mars-bench.github.io/
DOI: 10.5517/ccdc.csd.cc1j6888
title: CCDC 1406199: Experimental Crystal Structure Determination

description: Related Article: Anita Toscani, Khairil A. Jantan, Jubeda B. Hena, Jonathan A. Robson, Emily J. Parmenter, Valentina Fiorini, Andrew J. P. White, Stefano Stagni, James D. E. T. Wilton-Ely|2017|Dalton Trans.|46|5558|doi:10.1039/C6DT03810G
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.cc1mj25d
title: CCDC 1504993: Experimental Crystal Structure Determination

description: Related Article: Reinald Fischer, Helmar Görls, and Matthias Westerhausen|2016|Organometallics|35|3861|doi:10.1021/acs.organomet.6b00743
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.cc1mj26f
title: CCDC 1504994: Experimental Crystal Structure Determination

description: Related Article: Reinald Fischer, Helmar Görls, and Matthias Westerhausen|2016|Organometallics|35|3861|doi:10.1021/acs.organomet.6b00743
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.cc1mj27g
title: CCDC 1504995: Experimental Crystal Structure Determination

description: Related Article: Reinald Fischer, Helmar Görls, and Matthias Westerhausen|2016|Organometallics|35|3861|doi:10.1021/acs.organomet.6b00743
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.cc1mj28h
title: CCDC 1504996: Experimental Crystal Structure Determination

description: Related Article: Reinald Fischer, Helmar Görls, and Matthias Westerhausen|2016|Organometallics|35|3861|doi:10.1021/acs.organomet.6b00743
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.cc1mj29j
title: CCDC 1504997: Experimental Crystal Structure Determination

description: Related Article: Reinald Fischer, Helmar Görls, and Matthias Westerhausen|2016|Organometallics|35|3861|doi:10.1021/acs.organomet.6b00743
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.cc1mfk5s
title: CCDC 1502575: Experimental Crystal Structure Determination

description: Related Article: Lan-Xia Hu, Fei Wang, Yao Kang, Jian Zhang|2016|Cryst.Growth Des.|16|7139|doi:10.1021/acs.cgd.6b01364
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.cc1mj07d
title: CCDC 1504933: Experimental Crystal Structure Determination

description: Related Article: Anita Toscani, Khairil A. Jantan, Jubeda B. Hena, Jonathan A. Robson, Emily J. Parmenter, Valentina Fiorini, Andrew J. P. White, Stefano Stagni, James D. E. T. Wilton-Ely|2017|Dalton Trans.|46|5558|doi:10.1039/C6DT03810G
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.cc10w00x
title: CCDC 949468: Experimental Crystal Structure Determination

description: Related Article: Olga K. Grigorova, Alexei D. Averin, Olga A. Maloshitskaya, Victor B. Rybakov, Irina P. Beletskaya|2016|CSD Communication|||
description: Related Article: O.K.Grigorova, A.D.Averin, O.A.Maloshitskaya, V.B.Rybakov, I.P.Beletskaya|2016|Makrogeterocikly|9|418|doi:10.6060/mhc161069a
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.cc1mj0gm
title: CCDC 1504940: Experimental Crystal Structure Determination

description: Related Article: Subhi A. Al-Jibori, Mohamed M.A. Al-Bayati, Hayfa M. Gergees, Christoph Wagner, Graeme Hogarth|2017|Inorg.Chim.Acta|459|73|doi:10.1016/j.ica.2017.01.016
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.cc1mj0hn
title: CCDC 1504941: Experimental Crystal Structure Determination

description: Related Article: Subhi A. Al-Jibori, Mohamed M.A. Al-Bayati, Hayfa M. Gergees, Christoph Wagner, Graeme Hogarth|2017|Inorg.Chim.Acta|459|73|doi:10.1016/j.ica.2017.01.016
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.cc1mj0jp
title: CCDC 1504942: Experimental Crystal Structure Determination

description: Related Article: Subhi A. Al-Jibori, Mohamed M.A. Al-Bayati, Hayfa M. Gergees, Christoph Wagner, Graeme Hogarth|2017|Inorg.Chim.Acta|459|73|doi:10.1016/j.ica.2017.01.016
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.cc1mj0kq
title: CCDC 1504943: Experimental Crystal Structure Determination

description: Related Article: Guillaume Bastien, Paul I. Dron, Manon Vincent, David Canevet, Magali Allain, Sébastien Goeb, Marc Sallé|2016|Org.Lett.|18|5856|doi:10.1021/acs.orglett.6b02915
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.cc1mj0lr
title: CCDC 1504944: Experimental Crystal Structure Determination

description: Related Article: Gang Wang,  Zhan-Yong Wang,  Shuang-Shuo Niu,  Yin Rao,  Ying Cheng|2016|J.Org.Chem.|81|8276|doi:10.1021/acs.joc.6b01362
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.cc1mj1ry
title: CCDC 1504980: Experimental Crystal Structure Determination

description: Related Article: Aslam C. Shaikh, Dnyanesh S. Ranade,Pattuparambil R. Rajamohanan, Prasad P. Kulkarni, Nitin T. Patil|2017|Angew.Chem.,Int.Ed.|56|757|doi:10.1002/anie.201609335
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.cc1mj14b
title: CCDC 1504961: Experimental Crystal Structure Determination

description: Related Article: Gábor Nagy, Dezső Szikra, György Trencsényi, Anikó Fekete, Ildikó Garai, Arianna M. Giani, Roberto Negri, Norberto Masciocchi, Alessandro Maiocchi, Fulvio Uggeri, Imre Tóth, Silvio Aime, Giovanni B. Giovenzana, Zsolt Baranyai|2017|Angew.Chem.,Int.Ed.|56|2118|doi:10.1002/anie.201611207
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.cc1mj1bj
title: CCDC 1504967: Experimental Crystal Structure Determination

description: Related Article: Brette M. Chapin,  Pedro Metola,  Vincent M. Lynch,  John F. Stanton,  Tony D. James,  Eric V. Anslyn|2016|J.Org.Chem.|81|8319|doi:10.1021/acs.joc.6b01495
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.cc1mj1ck
title: CCDC 1504968: Experimental Crystal Structure Determination

description: Related Article: Rachelle Quach,  Daniel. P. Furkert,  Margaret A. Brimble|2016|J.Org.Chem.|81|8343|doi:10.1021/acs.joc.6b01503
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: 10.25505/fiz.icsd.cc1y3rjb
title: CSD 1791072: Experimental Crystal Structure Determination

description: Related Article: Frank Heinke, Anton Werwein, Oliver Oeckler|2017|J.Alloys Compd.|701|581|doi:10.1016/j.jallcom.2017.01.115
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.