cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc21hllr
title: CCDC 1891824: Experimental Crystal Structure Determination

description: Related Article: Jakob Möbs, Johanna Heine|2019|Inorg.Chem.|58|6175|doi:10.1021/acs.inorgchem.9b00429
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.cc21rlr5
title: CCDC 1899517: Experimental Crystal Structure Determination

description: Related Article: Han Xie, Lei Zhiquan, Radoslav Z. Pavlović, Judith Gallucci, Jovica D. Badjić|2019|Chem.Commun.|55|5479|doi:10.1039/C9CC01664C
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.cc21ttrg
title: CCDC 1901656: Experimental Crystal Structure Determination

description: Related Article: Takeshi Kaneko, Hayato Ninagawa, Moe Matsuoka, Toshiro Takao|2019|Organometallics|38|2239|doi:10.1021/acs.organomet.9b00182
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.cc21xft7
title: CCDC 1904169: Experimental Crystal Structure Determination

description: Related Article: Pierre Thuéry, Youssef Atoini, Jack Harrowfield|2019|Inorg.Chem.|58|6550|doi:10.1021/acs.inorgchem.9b00804
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.cc21xfv8
title: CCDC 1904170: Experimental Crystal Structure Determination

description: Related Article: Pierre Thuéry, Youssef Atoini, Jack Harrowfield|2019|Inorg.Chem.|58|6550|doi:10.1021/acs.inorgchem.9b00804
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.cc21xfw9
title: CCDC 1904171: Experimental Crystal Structure Determination

description: Related Article: Pierre Thuéry, Youssef Atoini, Jack Harrowfield|2019|Inorg.Chem.|58|6550|doi:10.1021/acs.inorgchem.9b00804
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: 10.25919/5cc2ac83e29ac
title: Parkes observations for project P996 semester 2019APRS_01

description: We propose to measure the polarisation of  107 southern pulsars (distance&gt;5kpc. 77 in this semester) 
using the Ultra-Wideband Low (UWL) receiver to investigate the structure of the Galactic 
disk magnetic field in and between distant spiral arms. Previous Parkes pulsar observations 
have revealed field reversals in nearby arm and interarm regions. We wish to exploit the 
greater sensitivity of the UWL receive r to extend this to more distant regions, thereby allowing 
us to distinguish more clearly between different models for the structure of the disk field. 
Because of the intrinsic uncertainty in DM-based pulsar distances, averaging data over groups 
of pulsars is necessary to confidently demonstrate any magnetic-field reversals.
This work will have important implications for theories for the generation of Galactic magnetic 
fields and for other areas, e.g., cosmic-ray physics, which depend on a knowledge of the 
large-scale Galactic magnetic field for their interpretation.
DOI: 10.5517/ccdc.csd.cc212dxg
title: CCDC 1879155: Experimental Crystal Structure Determination

description: Related Article: Leon Maser,  Christian Schneider,  Lisa Vondung,  Lukas Alig,  Robert Langer|2019|J.Am.Chem.Soc.|141|7596|doi:10.1021/jacs.9b02598
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.cc212dyh
title: CCDC 1879156: Experimental Crystal Structure Determination

description: Related Article: Leon Maser,  Christian Schneider,  Lisa Vondung,  Lukas Alig,  Robert Langer|2019|J.Am.Chem.Soc.|141|7596|doi:10.1021/jacs.9b02598
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.cc212dzj
title: CCDC 1879157: Experimental Crystal Structure Determination

description: Related Article: Leon Maser,  Christian Schneider,  Lisa Vondung,  Lukas Alig,  Robert Langer|2019|J.Am.Chem.Soc.|141|7596|doi:10.1021/jacs.9b02598
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.cc212f0l
title: CCDC 1879158: Experimental Crystal Structure Determination

description: Related Article: Leon Maser,  Christian Schneider,  Lisa Vondung,  Lukas Alig,  Robert Langer|2019|J.Am.Chem.Soc.|141|7596|doi:10.1021/jacs.9b02598
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.cc212f1m
title: CCDC 1879159: Experimental Crystal Structure Determination

description: Related Article: Leon Maser,  Christian Schneider,  Lisa Vondung,  Lukas Alig,  Robert Langer|2019|J.Am.Chem.Soc.|141|7596|doi:10.1021/jacs.9b02598
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.cc212f2n
title: CCDC 1879160: Experimental Crystal Structure Determination

description: Related Article: Leon Maser,  Christian Schneider,  Lisa Vondung,  Lukas Alig,  Robert Langer|2019|J.Am.Chem.Soc.|141|7596|doi:10.1021/jacs.9b02598
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.cc21hv4k
title: CCDC 1892058: Experimental Crystal Structure Determination

description: Related Article: Hao Wang,  Yoonsu Park,  Ziqian Bai,  Sukbok Chang,  Gang He,  Gong Chen|2019|J.Am.Chem.Soc.|141|7194|doi:10.1021/jacs.9b02811
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.cc21j1xk
title: CCDC 1892268: Experimental Crystal Structure Determination

description: Related Article: Hao Wang,  Yoonsu Park,  Ziqian Bai,  Sukbok Chang,  Gang He,  Gong Chen|2019|J.Am.Chem.Soc.|141|7194|doi:10.1021/jacs.9b02811
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.cc21jmhq
title: CCDC 1892813: Experimental Crystal Structure Determination

description: Related Article: Meng-Yu Xu,  Wei-Tao Jiang,  Ying Li,  Qing-Hao Xu,  Qiao-Lan Zhou,  Shuo Yang,  Bin Xiao|2019|J.Am.Chem.Soc.|141|7582|doi:10.1021/jacs.9b02776
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: 10.18716/nmrshiftdb2/60001974
title: NMR data for (3,25R)-Spirost-5-en-3-ol; 3-Hydroxy-5-spirostene; Nitogenin; Spirost-5-en-3-ol-Derivat des Spiro[8H-naphth-[2',1':4,5]indeno[2,1-b]furan-8,2'-[2H]pyrans]
DOI: 10.25345/c5192p
title: MassIVE MSV000083728 - Arabidopsis thaliana mutant sr45-1 inflorescence protein TMT-6
title: Arabidopsis thaliana mutant sr45-1 has an altered flower shape.  sr45 is a splicing regulator.  In this study, we examined the proteins from inflorescence of sr45-1 mutant plants and wild-type.  Wild type TMT labels: 126, 128, 130.  sr45-1 TMT labels: 127, 129, 131.
DOI: 10.5517/ccdc.csd.cc20tq1m
title: CCDC 1871750: Experimental Crystal Structure Determination

description: Related Article: Wei Gong,  Xu Chen,  Hong Jiang,  Dandan Chu,  Yong Cui,  Yan Liu|2019|J.Am.Chem.Soc.|141|7498|doi:10.1021/jacs.9b02294
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.cc21l5wq
title: CCDC 1894313: Experimental Crystal Structure Determination

description: Related Article: Yassine Beldjoudi,  Ana Arauzo,  Javier Campo,  Emma L. Gavey,  Melanie Pilkington,  Mitchell A. Nascimento,  Jeremy M. Rawson|2019|J.Am.Chem.Soc.|141|6875|doi:10.1021/jacs.8b11528
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.cc21l5xr
title: CCDC 1894314: Experimental Crystal Structure Determination

description: Related Article: Yassine Beldjoudi,  Ana Arauzo,  Javier Campo,  Emma L. Gavey,  Melanie Pilkington,  Mitchell A. Nascimento,  Jeremy M. Rawson|2019|J.Am.Chem.Soc.|141|6875|doi:10.1021/jacs.8b11528
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.cc21l5ys
title: CCDC 1894315: Experimental Crystal Structure Determination

description: Related Article: Yassine Beldjoudi,  Ana Arauzo,  Javier Campo,  Emma L. Gavey,  Melanie Pilkington,  Mitchell A. Nascimento,  Jeremy M. Rawson|2019|J.Am.Chem.Soc.|141|6875|doi:10.1021/jacs.8b11528
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.cc21l5zt
title: CCDC 1894316: Experimental Crystal Structure Determination

description: Related Article: Yassine Beldjoudi,  Ana Arauzo,  Javier Campo,  Emma L. Gavey,  Melanie Pilkington,  Mitchell A. Nascimento,  Jeremy M. Rawson|2019|J.Am.Chem.Soc.|141|6875|doi:10.1021/jacs.8b11528
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.cc21pj8k
title: CCDC 1897518: Experimental Crystal Structure Determination

description: Related Article: Sreelakshmi Chandrabose, Kai Chen, Alex J. Barker, Joshua J. Sutton, Shyamal K. K. Prasad, Jingshuai Zhu, Jiadong Zhou, Keith C. Gordon, Zengqi Xie, Xiaowei Zhan, Justin M. Hodgkiss|2019|J.Am.Chem.Soc.|141|6922|doi:10.1021/jacs.8b12982
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.cc21rnhz
title: CCDC 1899571: Experimental Crystal Structure Determination

description: Related Article: Cui-Ping Liu,  Cheng-Ying Xie,  Jin-Xin Zhao,  Kai-Long Ji,  Xin-Xiang Lei,  Han Sun,  Li-Guang Lou,  Jian-Min Yue|2019|J.Am.Chem.Soc.|141|6812|doi:10.1021/jacs.9b02259
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.cc21rw3t
title: CCDC 1899776: Experimental Crystal Structure Determination

description: Related Article: Erik J. T. Phipps, and Tomislav Rovis|2019|J.Am.Chem.Soc.|141|6807|doi:10.1021/jacs.9b02156
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.cc21v479
title: CCDC 1901950: Experimental Crystal Structure Determination

description: Related Article: Leon Maser,  Christian Schneider,  Lisa Vondung,  Lukas Alig,  Robert Langer|2019|J.Am.Chem.Soc.|141|7596|doi:10.1021/jacs.9b02598
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: 10.14459/1483140
title: NEW: So2Sat LCZ42
DOI: 10.15139/s3/zvwrhv
title: Replication and Extension Paper, Dataset, and R Code - POLI 784

description: This is a replication and extension of findings from the SWELL Knowledge Work dataset, files include the replication and extension paper, r code, and relevant data.
DOI: 10.5258/soton/d0574
title: Data for 'Encapsulated Textile Organic Solar Cells Fabricated by Spray Coating'

description: This data supports the paper Li, Y., Arumugam, S., Krishnan, C., Charlton, M., & Beeby, S. (2018). Encapsulated Textile Organic Solar Cells Fabricated by Spray Coating. Solution based processes such as screen printing and spray coating are established processes for fabricating organic solar cells (OSCs) on flexible polymer substrates. However, realizing a flexible solar cell on a textile substrate remains a significant challenge due to the properties of the textile itself, which can present an absorbent, rough and fibrous surface. The textile also limits processing temperatures which can reduce functional materials performance. In this work, we demonstrate an optimized fabrication approach using entirely spray coating to fabricate textile OSCs with a power conversion efficiency (PCE) of 0.4 %. An interface layer is first deposited on the standard woven textile that forms a smooth supporting layer for the subsequent spray coated functional layers. A top encapsulation layer is deposited on top of the fabricated textile OSCs, which improves the durability and life time of the OSCs is evidenced by cyclic bending test.
DOI: 10.14459/2018mp1483140
title: NEW: So2Sat LCZ42
DOI: 10.5281/zenodo.2652365
title: 0.3 ms of asymmetric GM1:POPC/POPC (2:98/100) bilayer

description: Cone-like GM1. Eleventh 25 microseconds of total 300 microseconds.
DOI: 10.18716/nmrshiftdb2/60001973
title: NMR data for (4,5,8,9,10,13,14)-5,9,13-Trimethyl-24,25,26-trinoroleanan-3-on; Friedelin
DOI: 10.5281/zenodo.2652188
title: 0.3 ms of asymmetric GM1:POPC/POPC (2:98/100) bilayer

description: Cone-like GM1. Tenth 25 microseconds of total 300 microseconds.
description: The name of this file should have been U002L000_centered_part_9.trr.
DOI: 10.18716/nmrshiftdb2/60000009/chiuz_cdcl3
title: ChiuZ NMR dataset for Colchicin in Chloroform-D1 (CDCl3)
DOI: 10.5281/zenodo.2652105
title: Simulated Arabidopsis thaliana sequencing datasets for chloroplast assembler benchmarking

description: <strong>Changes</strong>


	Fixed non-circular sampling from chloroplast and mitochondrion in version 1.1.0
	Fixed off-by-one error in reverse read in version 1.0.0


<strong>Purpose and Documentation</strong>

See: github.com/chloroExtractorTeam/benchmark

<strong>Original data</strong><br>
The original <em>Arabidopsis thaliana </em>sequences were downloaded from TAIR:                                                                      

The Arabidopsis Information Resource (TAIR) on www.arabidopsis.org, Mar 22, 2019 available under the TAIR Terms of Use                                       

<em>Tanya Z. Berardini, Leonore Reiser, Donghui Li, Yarik Mezheritsky, Robert Muller, Emily Strait and Eva Huala. "The Arabidopsis Information Resource: Making and mining the "gold standard" annotated reference plant genome."    genesis 2015 doi:10.1002/dvg.22877</em>

<strong>Programs used to generate this data</strong><br>
 - seqkit (v0.10.1): Shen W, Le S, Li Y, Hu F (2016) "SeqKit: A Cross-Platform and Ultrafast Toolkit for FASTA/Q File Manipulation." PLOS ONE 11(10): e0163962. doi:10.1371/journal.pone.0163962
description: Full documentation: https://github.com/chloroExtractorTeam/benchmark/blob/master/03_representative_datasets.md
description: {"references": ["Berardini TZ, Reiser L, Li D, Mezheritsky Y, Muller R, Strait E, Huala E (2015) The Arabidopsis Information Resource: Making and mining the \"gold standard\" annotated reference plant genome. genesis doi:10.1002/dvg.22877", "Shen W, Le S, Li Y, Hu F (2016) SeqKit: A Cross-Platform and Ultrafast Toolkit for FASTA/Q File Manipulation. PLOS ONE 11(10): e0163962. doi:10.1371/journal.pone.0163962"]}
DOI: 10.7270/q2xp74qm
title: BindingDB Entry 50026029: 4-Methyl-5-phenyl triazoles as selective inhibitors of 11beta-hydroxysteroid dehydrogenase type I.

description: Small molecule binding data for protein 11-beta-Hydroxysteroid Dehydrogenase 2 (11-beta-HSD2), 11-beta-hydroxysteroid dehydrogenase 1, 11-beta-hydroxysteroid dehydrogenase 2, and Pregnane X receptor (PXR), Uniprot O75469, P28845, P50172, P51661, and P80365
DOI: 10.7270/q2125sj6
title: BindingDB Entry 50027973: New analogues of agmatine with higher affinity to imidazoline receptors.

description: Small molecule binding data for protein Imidazoline I1, Uniprot Q4G017
DOI: 10.7270/q21g0m1n
title: BindingDB Entry 50026045: Demonstration of direct binding of cIAP1 degradation-promoting bestatin analogs to BIR3 domain: Synthesis and application of fluorescent bestatin ester analogs.

description: Small molecule binding data for protein Baculoviral IAP repeat-containing protein 3 (IAP1 BIR3), Uniprot Q13489
DOI: 10.7270/q22807kh
title: BindingDB Entry 50029429: TBA

description: Small molecule binding data for protein Prostanoid IP receptor, Uniprot P43119
DOI: 10.7270/q24t6j8m
title: BindingDB Entry 50027972: Discovery and optimization of imidazo[1,2-a]pyridine inhibitors of insulin-like growth factor-1 receptor (IGF-1R).

description: Small molecule binding data for protein Aurora kinase B/Inner centromere protein, Epidermal growth factor receptor, Epidermal growth factor receptor and ErbB2 (HER1 and HER2), Insulin receptor, Insulin-like growth factor I receptor, Mitogen-activated protein kinase 14, Receptor tyrosine-protein kinase erbB-4 (HER4), SRC, and Serine/threonine-protein kinase Aurora, Uniprot O14965, P00533, P04626, P06213, P06239, P08069, Q15303, Q16539, and Q96GD4
DOI: 10.7270/q2542ndj
title: BindingDB Entry 50026044: Novel ORL1-selective antagonists with oral bioavailability and brain penetrability.

description: Small molecule binding data for protein Delta-type opioid receptor, Kappa-type opioid receptor, Mu-type opioid receptor, and Nociceptin receptor, Uniprot P35372, P41143, P41145, and P41146
DOI: 10.7270/q261108s
title: BindingDB Entry 50029428: TBA

description: Small molecule binding data for protein Prostanoid IP receptor, Uniprot P43119
DOI: 10.7270/q27w6c0k
title: BindingDB Entry 50026077: Microsomal prostaglandin E2 synthase-1 (mPGES-1): a novel anti-inflammatory therapeutic target.

description: Small molecule binding data for protein 5-lipoxygenase/FLAP, Microsomal prostaglandin E synthase-1, Prostaglandin E synthase 2, and Thromboxane A2 Synthase (P450 TxA2), Uniprot P20292, P24557, and Q9H7Z7
DOI: 10.7270/q28k790b
title: BindingDB Entry 50027967: Ligand-based and structure-based virtual screening to identify carbonic anhydrase IX inhibitors.

description: Small molecule binding data for protein Carbonic anhydrase, Carbonic anhydrase 2, and Carbonic anhydrase 9, Uniprot P00915, P00918, and Q16790