cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1zbd3t
title: CCDC 1827236: Experimental Crystal Structure Determination

description: Related Article: Yuto Okugawa, Yoshihiro Hayashi, Susumu Kawauchi, Koji Hirano, Masahiro Miura|2018|Org.Lett.|20|3670|doi:10.1021/acs.orglett.8b01470
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.cc1zbkgb
title: CCDC 1827402: Experimental Crystal Structure Determination

description: Related Article: Fan Yiming, Cheng Jun, Gao Yafei, Shi Min, Deng Liang|2018|Huaxue Xuebao|1|1|doi:10.6023/A18030095
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.cc1zbkhc
title: CCDC 1827403: Experimental Crystal Structure Determination

description: Related Article: Fan Yiming, Cheng Jun, Gao Yafei, Shi Min, Deng Liang|2018|Huaxue Xuebao|1|1|doi:10.6023/A18030095
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.1286303
title: Predictive Models For Off-Target Binding Profiles Generation

description: Models for predicting off-target binding, built with Conformal Prediction, and the CPSign software. The dataset is part of an upcoming publication (Manuscript in preparation), which will provide more details.

The dataset is a GZipped Tar archive, with the models as Java Archive (JAR) files. For every JAR-file, there is also a corresponding audit log, with the extension ".audit.json", produced by the workflow software (SciPipe) used to train the models. This audit file contains all the shell commands used in the workflow that produced the models.
DOI: 10.5281/zenodo.1286304
title: Predictive Models For Off-Target Binding Profiles Generation

description: Models for predicting off-target binding, built with Conformal Prediction, and the CPSign software. The dataset is part of an upcoming publication (Manuscript in preparation), which will provide more details.

The dataset is a GZipped Tar archive, with the models as Java Archive (JAR) files. For every JAR-file, there is also a corresponding audit log, with the extension ".audit.json", produced by the workflow software (SciPipe) used to train the models. This audit file contains all the shell commands used in the workflow that produced the models.
DOI: 10.5517/ccdc.csd.cc1zpsbs
title: CCDC 1838186: Experimental Crystal Structure Determination

description: Related Article: Franck Le Vaillant, Marion Garreau, Stefano Nicolai, Ganna Gryn'ova, Clemence Corminboeuf, Jerome Waser|2018|Chemical Science|9|5883|doi:10.1039/C8SC01818A
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.cc1zqbxy
title: CCDC 1838731: Experimental Crystal Structure Determination

description: Related Article: Evangelos Pilichos, Ioannis Mylonas-Margaritis, Aristotelis P. Kontos, Vassilis Psycharis, Nikolaos Klouras, Catherine P. Raptopoulou, Spyros P. Perlepes|2018|Inorg.Chem.Commun.|94|48|doi:10.1016/j.inoche.2018.06.004
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.cc1zqbyz
title: CCDC 1838732: Experimental Crystal Structure Determination

description: Related Article: Evangelos Pilichos, Ioannis Mylonas-Margaritis, Aristotelis P. Kontos, Vassilis Psycharis, Nikolaos Klouras, Catherine P. Raptopoulou, Spyros P. Perlepes|2018|Inorg.Chem.Commun.|94|48|doi:10.1016/j.inoche.2018.06.004
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: 10.5445/ir/1000082194
title: Dataset accompanying "How much demand side flexibility do we need? - Analyzing where to exploit flexibility in industrial processes"
DOI: 10.5517/ccdc.csd.cc1nnmqn
title: CCDC 1539172: Experimental Crystal Structure Determination

description: Related Article: P. Kumar, M.K. Cabaj, A. Pazio, P.M. Dominiak|2018|IUCrJ|5|449|doi:10.1107/S2052252518006346
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.cc1nnmrp
title: CCDC 1539173: Experimental Crystal Structure Determination

description: Related Article: P. Kumar, M.K. Cabaj, A. Pazio, P.M. Dominiak|2018|IUCrJ|5|449|doi:10.1107/S2052252518006346
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.cc1nnmsq
title: CCDC 1539174: Experimental Crystal Structure Determination

description: Related Article: P. Kumar, M.K. Cabaj, A. Pazio, P.M. Dominiak|2018|IUCrJ|5|449|doi:10.1107/S2052252518006346
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.cc1yyv4w
title: CCDC 1816139: Experimental Crystal Structure Determination

description: Related Article: Aysun Çapcı Karagöz, Christoph Reiter, Ean-Jeong Seo, Lisa Gruber, Friedrich Hahn, Maria Leidenberger, Volker Klein, Frank Hampel, Oliver Friedrich, Manfred Marschall, Barbara Kappes, Thomas Efferth, Svetlana B. Tsogoeva|2018|Bioorg.Med.Chem.|26|3610|doi:10.1016/j.bmc.2018.05.041
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.cc1zrmdr
title: CCDC 1839955: Experimental Crystal Structure Determination

description: Related Article: Ryan R. Maar, Sara D. Catingan, Viktor N. Staroverov, Joe B. Gilroy|2018|Angew.Chem.,Int.Ed.|57|9870|doi:10.1002/anie.201806097
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.cc1zrmgt
title: CCDC 1839957: Experimental Crystal Structure Determination

description: Related Article: Ryan R. Maar, Sara D. Catingan, Viktor N. Staroverov, Joe B. Gilroy|2018|Angew.Chem.,Int.Ed.|57|9870|doi:10.1002/anie.201806097
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.cc1prhmk
title: CCDC 1571719: Experimental Crystal Structure Determination

description: Related Article: Ken-ichi Yamashita, Takayo Yamanaka, Naoya Sakata, Takuji Ogawa|2018|Chem.Asian J.|13|1692|doi:10.1002/asia.201800324
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.cc1prwy8
title: CCDC 1572101: Experimental Crystal Structure Determination

description: Related Article: Ken-ichi Yamashita, Takayo Yamanaka, Naoya Sakata, Takuji Ogawa|2018|Chem.Asian J.|13|1692|doi:10.1002/asia.201800324
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.cc1yyv5x
title: CCDC 1816140: Experimental Crystal Structure Determination

description: Related Article: Aysun Çapcı Karagöz, Christoph Reiter, Ean-Jeong Seo, Lisa Gruber, Friedrich Hahn, Maria Leidenberger, Volker Klein, Frank Hampel, Oliver Friedrich, Manfred Marschall, Barbara Kappes, Thomas Efferth, Svetlana B. Tsogoeva|2018|Bioorg.Med.Chem.|26|3610|doi:10.1016/j.bmc.2018.05.041
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.cc1zrmjw
title: CCDC 1839959: Experimental Crystal Structure Determination

description: Related Article: Ryan R. Maar, Sara D. Catingan, Viktor N. Staroverov, Joe B. Gilroy|2018|Angew.Chem.,Int.Ed.|57|9870|doi:10.1002/anie.201806097
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: 10.14455/nrct.img.2018.64
title: อนุกรมวิธานของแตนเบียนวงศ์ Braconidae (Hymenoptera: Ichneumonoidea) ที่ออกหากินเวลากลางคืน บริเวณหมู่เกาะแสมสาร จังหวัดชลบุรี
DOI: 10.5255/ukda-sn-8340-3
title: Millennium Cohort Study Cross-Sweep Harmonised Data
DOI: 10.5255/ukda-sn-8341-3
title: 1970 British Cohort Study Cross-Sweep Harmonised Data
DOI: 10.5255/ukda-sn-8342-3
title: National Child Development Study Cross-Sweep Harmonised Data
DOI: 10.5517/ccdc.csd.cc1prh97
title: CCDC 1571709: Experimental Crystal Structure Determination

description: Related Article: Ken-ichi Yamashita, Takayo Yamanaka, Naoya Sakata, Takuji Ogawa|2018|Chem.Asian J.|13|1692|doi:10.1002/asia.201800324
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.cc1prj54
title: CCDC 1571736: Experimental Crystal Structure Determination

description: Related Article: Ken-ichi Yamashita, Takayo Yamanaka, Naoya Sakata, Takuji Ogawa|2018|Chem.Asian J.|13|1692|doi:10.1002/asia.201800324
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.cc1prj65
title: CCDC 1571737: Experimental Crystal Structure Determination

description: Related Article: Ken-ichi Yamashita, Takayo Yamanaka, Naoya Sakata, Takuji Ogawa|2018|Chem.Asian J.|13|1692|doi:10.1002/asia.201800324
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.cc1prqpv
title: CCDC 1571938: Experimental Crystal Structure Determination

description: Related Article: Ken-ichi Yamashita, Takayo Yamanaka, Naoya Sakata, Takuji Ogawa|2018|Chem.Asian J.|13|1692|doi:10.1002/asia.201800324
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.cc1prwp0
title: CCDC 1572093: Experimental Crystal Structure Determination

description: Related Article: Ken-ichi Yamashita, Takayo Yamanaka, Naoya Sakata, Takuji Ogawa|2018|Chem.Asian J.|13|1692|doi:10.1002/asia.201800324
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.cc1prwz9
title: CCDC 1572102: Experimental Crystal Structure Determination

description: Related Article: Ken-ichi Yamashita, Takayo Yamanaka, Naoya Sakata, Takuji Ogawa|2018|Chem.Asian J.|13|1692|doi:10.1002/asia.201800324
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.cc1z96fx
title: CCDC 1826099: Experimental Crystal Structure Determination

description: Related Article: Ioannis Bratsos, Christos Tampaxis, Ioannis Spanopoulos, Nicola Demitri, Georgia Charalambopoulou, Dionisios Vourloumis, Theodore A Steriotis, Pantelis N. Trikalitis|2018|Inorg.Chem.|57|7244|doi:10.1021/acs.inorgchem.8b00910
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.cc1ztxsh
title: CCDC 1842168: Experimental Crystal Structure Determination

description: Related Article: Wenqing Wang,  Chao Chen,  Chan Shu,  Suchada Rajca,  Xinping Wang,  Andrzej Rajca|2018|J.Am.Chem.Soc.|140|7820|doi:10.1021/jacs.8b02415
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: 10.14455/nrct.img.2018.65
title: ความหลากชนิดและดีเอ็นเอบาร์โค้ดของกิ้งกือ บริเวณพื้นที่หมู่เกาะแสมสาร ในโครงการอนุรักษ์พันธุกรรมพืชอันเนื่องมาจากพระราชดำริฯ สมเด็จพระเทพรัตนราชสุดาฯ สยามบรมราชกุมารี
DOI: 10.14455/nrct.img.2018.66
title: อนุกรมวิธานของหอยขัดเปลือกวงศ์ Ariophantidae ในพื้นที่โครงการอนุรักษ์พันธุกรรมพืชอันเนื่องมาจากพระราชดาริฯ สมเด็จพระเทพรัตนราชสุดาฯ สยามบรมราชกุมารี: หมู่เกาะแสมสาร จังหวัดชลบุรี และ เขาวังเขมร จังหวัดกาญจนบุรี
DOI: 10.5517/ccdc.csd.cc1z1mpb
title: CCDC 1818822: Experimental Crystal Structure Determination

description: Related Article: Jin-Ping Li, Yao-Cheng Shi|2018|Inorg.Chim.Acta|482|77|doi:10.1016/j.ica.2018.05.018
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.cc1z1mqc
title: CCDC 1818823: Experimental Crystal Structure Determination

description: Related Article: Jin-Ping Li, Yao-Cheng Shi|2018|Inorg.Chim.Acta|482|77|doi:10.1016/j.ica.2018.05.018
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.cc1z1mrd
title: CCDC 1818824: Experimental Crystal Structure Determination

description: Related Article: Jin-Ping Li, Yao-Cheng Shi|2018|Inorg.Chim.Acta|482|77|doi:10.1016/j.ica.2018.05.018
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.cc1z1msf
title: CCDC 1818825: Experimental Crystal Structure Determination

description: Related Article: Jin-Ping Li, Yao-Cheng Shi|2018|Inorg.Chim.Acta|482|77|doi:10.1016/j.ica.2018.05.018
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: 10.14455/nrct.img.2018.73
title: การเข้าใช้พื้นที่ของสัตว์สะเทินน้ำสะเทินบกในพื้นที่ป่าปลูกใหม่ในพื้นที่ป่ามหาวิทยาลัยจังหวัดสระบุรี
DOI: 10.5517/ccdc.csd.cc1pz40t
title: CCDC 1578086: Experimental Crystal Structure Determination

description: Related Article: Samaresh Layek, Rakesh Ganguly, Devendra D. Pathak|2018|J.Organomet.Chem.|870|16|doi:10.1016/j.jorganchem.2018.06.004
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.cc1z1mtg
title: CCDC 1818826: Experimental Crystal Structure Determination

description: Related Article: Jin-Ping Li, Yao-Cheng Shi|2018|Inorg.Chim.Acta|482|77|doi:10.1016/j.ica.2018.05.018
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.cc1z1mvh
title: CCDC 1818827: Experimental Crystal Structure Determination

description: Related Article: Jin-Ping Li, Yao-Cheng Shi|2018|Inorg.Chim.Acta|482|77|doi:10.1016/j.ica.2018.05.018
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.cc1z2259
title: CCDC 1819240: Experimental Crystal Structure Determination

description: Related Article: Hyunchang Park, Hye Mi Ahn, Ha Young Jeong, Cheal Kim, Dongwhan Lee|2018|Chem.-Eur.J.|24|8632|doi:10.1002/chem.201800447
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.cc1z226b
title: CCDC 1819241: Experimental Crystal Structure Determination

description: Related Article: Hyunchang Park, Hye Mi Ahn, Ha Young Jeong, Cheal Kim, Dongwhan Lee|2018|Chem.-Eur.J.|24|8632|doi:10.1002/chem.201800447
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.cc1z23lr
title: CCDC 1819284: Experimental Crystal Structure Determination

description: Related Article: Lei Fu, Shangda Li, Zhihua Cai, Yongzheng Ding, Xiao-Qing Guo, Li-Peng Zhou, Daqiang Yuan, Qing-Fu Sun, Gang Li|2018|Nat. Catal.|1|469|doi:10.1038/s41929-018-0080-y
description: Related Article: Zhihua Cai, Shangda Li, Yuzhen Gao, Gang Li|2018|Adv.Synth.Catal.|360|4005|doi:10.1002/adsc.201800611
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.