cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc2h6j3c
title: CCDC 2300172: Experimental Crystal Structure Determination

description: Related Article: Milan Gembicky|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h6jbl
title: CCDC 2300179: Experimental Crystal Structure Determination

description: Related Article: Merrily Sawkmie, Sebastian Krajewski, Mohan Rao Kollipara, Werner Kaminsky|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h7812
title: CCDC 2300883: Experimental Crystal Structure Determination

description: Related Article: Takayuki Ishida|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h7ls4
title: CCDC 2301216: Experimental Crystal Structure Determination

description: Related Article: Jeanette A. Krause, Stuart A. Willison, William B. Connick|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h7m4j
title: CCDC 2301227: Experimental Crystal Structure Determination

description: Related Article: Jeanette A. Krause, Stuart A. Willison, William B. Connick|2023|CSD Communication|||
description: An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc2h7tg1
title: CCDC 2301423: Experimental Crystal Structure Determination

description: Related Article: Muskan, Akhilesh K. Verma|2024|Green Chemistry|26|1297|doi:10.1039/D3GC04096H
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.cc2h7vqb
title: CCDC 2301462: Experimental Crystal Structure Determination

description: Related Article: Asmae Ben Abdelhadi, Mario Gutiérrez, Boiko Cohen, Luis Lezama, Mohammed Lachkar, Abderrazzak Douhal|2024|J.Mater.Chem.C|12|286|doi:10.1039/D3TC03821A
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.cc2hb916
title: CCDC 2303797: Experimental Crystal Structure Determination

description: Related Article: Vaibhav Pramod Charpe, Mahima Gupta, Kuo Chu Hwang|2024|Green Chemistry|26|1329|doi:10.1039/D3GC04062C
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.cc2hb927
title: CCDC 2303798: Experimental Crystal Structure Determination

description: Related Article: Vaibhav Pramod Charpe, Mahima Gupta, Kuo Chu Hwang|2024|Green Chemistry|26|1329|doi:10.1039/D3GC04062C
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.cc2hbq3p
title: CCDC 2304202: Experimental Crystal Structure Determination

description: Related Article: Tongyao Zhou, Jie Zeng, Yang Liu, Hang Chen, Haifeng Wang, Qiongjiao Yan, Wei Wang, Fener Chen|2023|Green Chemistry|26|1375|doi:10.1039/D3GC04286C
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.cc2hbvzp
title: CCDC 2304353: Experimental Crystal Structure Determination

description: Related Article: Yan Wang, Sijia Shi, Wei Zhang, Yong Nian, Xiaowei Wu|2024|Org.Lett.|26|483|doi:10.1021/acs.orglett.3c03819
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.cc2hcwqh
title: CCDC 2305337: Experimental Crystal Structure Determination

description: Related Article: Jinku Bai, Xiao Xu, Xin-Yue Wang, Xin Sun, Jiaqi Liang, Tongling Liang, Han-Yuan Gong|2024|Mat.Advs.|5|1028|doi:10.1039/D3MA01082A
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.cc2hcwrj
title: CCDC 2305338: Experimental Crystal Structure Determination

description: Related Article: Jinku Bai, Xiao Xu, Xin-Yue Wang, Xin Sun, Jiaqi Liang, Tongling Liang, Han-Yuan Gong|2024|Mat.Advs.|5|1028|doi:10.1039/D3MA01082A
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.cc2hcwyq
title: CCDC 2305344: Experimental Crystal Structure Determination

description: Related Article: Jinku Bai, Xiao Xu, Xin-Yue Wang, Xin Sun, Jiaqi Liang, Tongling Liang, Han-Yuan Gong|2024|Mat.Advs.|5|1028|doi:10.1039/D3MA01082A
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.25148570
title: KARS1 variants/evolution

description: Variants were extracted from UniProt, ClinVar, gnomAD, and Geno2MP on 2/5/2024 and integrated with NCBI ortholog alignments performed on 2/5/2024 using kalign algorithm.
DOI: 10.6084/m9.figshare.25148570.v1
title: KARS1 variants/evolution

description: Variants were extracted from UniProt, ClinVar, gnomAD, and Geno2MP on 2/5/2024 and integrated with NCBI ortholog alignments performed on 2/5/2024 using kalign algorithm.
DOI: 10.5281/zenodo.10000370
title: Thin film structural color is widespread in slime molds (Myxomycetes, Amoebozoa)

description: Dataset supporting the article "Bauernfeind, Viola, et al. "Thin film structural color is widespread in slime molds (Myxomycetes, Amoebozoa)." Optics Express 32.4 (2024): 5429-5443."
DOI: 10.57967/hf/1744
title: hercules-v2.0
DOI: 10.13012/b2-3044828_v1
title: Experiments on patterns of alluvial cover and bedrock erosion in a meandering channel

description: This dataset includes measurements taken during the experiments on patterns of alluvial cover over bedrock. The dataset includes an hour worth of timelapse images taken every 10s for eight different experimental conditions. It also includes the instantaneous water surface elevations measured with eTapes at a frequency of 10Hz for each experiment. The 'Read me Data.txt' file explains in more detail the contents of the dataset.
DOI: 10.13012/b2idb-3993338_v1
title: Funding and Operating Organizations for Long-Lived Molecular Biology Databases

description: The organizations that contribute to the longevity of 67 long-lived molecular biology databases published in Nucleic Acids Research (NAR) between 1991-2016 were identified to address two research questions 1) which organizations fund these databases? and 2) which organizations maintain these databases? Funders were determined by examining funding acknowledgements in each database's most recent NAR Database Issue update article published (prior to 2017) and organizations operating the databases were determine through review of database websites.
DOI: 10.25444/nhlbi.25146251
title: Data from "Dietary fish oil enriched in very-long-chain polyunsaturated fatty acid reduces cardiometabolic risk factors and improves retinal function."

description: These are the raw data associated with the manuscript "Dietary fish oil enriched in very-long-chain polyunsaturated fatty acid reduces cardiometabolic risk factors and improves retinal function." Very-long-chain polyunsaturated fatty acids (VLCPUFAs; C24-38) are a unique class of polyunsaturated fatty acids that play important biological roles in several tissues, such as the retina, brain, and testes. The researchers produced an n-3 C24-28-rich VLCPUFA-oil concentrated from fish oil to study its bioavailability and physiological functions in C57BL/6J mice. The serum and retinal C24:5 levels increased significantly compared to control after a single-dose gavage, and VLCPUFAs were incorporated into the liver, brain, and eyes after 8-week supplementation. Dietary VLCPUFAs resulted in favorable cardiometabolic changes, and improved electroretinography responses and visual performance. VLCPUFA supplementation changed the expression of genes involved in PPAR signaling pathways. Further <i>in vitro</i> studies demonstrated that the VLCPUFA-enriched fish oil and chemically synthesized C24:5 are potent agonists for PPARs. The multiple potential beneficial effects of fish oil-derived VLCPUFAs on cardiometabolic risk and eye health in mice support future efforts to develop VLCPUFA oil into a supplemental therapy.
DOI: 10.25444/nhlbi.25146251.v1
title: Data from "Dietary fish oil enriched in very-long-chain polyunsaturated fatty acid reduces cardiometabolic risk factors and improves retinal function."

description: These are the raw data associated with the manuscript "Dietary fish oil enriched in very-long-chain polyunsaturated fatty acid reduces cardiometabolic risk factors and improves retinal function." Very-long-chain polyunsaturated fatty acids (VLCPUFAs; C24-38) are a unique class of polyunsaturated fatty acids that play important biological roles in several tissues, such as the retina, brain, and testes. The researchers produced an n-3 C24-28-rich VLCPUFA-oil concentrated from fish oil to study its bioavailability and physiological functions in C57BL/6J mice. The serum and retinal C24:5 levels increased significantly compared to control after a single-dose gavage, and VLCPUFAs were incorporated into the liver, brain, and eyes after 8-week supplementation. Dietary VLCPUFAs resulted in favorable cardiometabolic changes, and improved electroretinography responses and visual performance. VLCPUFA supplementation changed the expression of genes involved in PPAR signaling pathways. Further <i>in vitro</i> studies demonstrated that the VLCPUFA-enriched fish oil and chemically synthesized C24:5 are potent agonists for PPARs. The multiple potential beneficial effects of fish oil-derived VLCPUFAs on cardiometabolic risk and eye health in mice support future efforts to develop VLCPUFA oil into a supplemental therapy.
DOI: 10.13012/b2idb-1678505_v1
title: PICAN-PI Public Data

description: This dataset contains all data used in the two studies included in "PICAN-PI..." by Nute, et al, other than the original raw sequences. That includes: 1) Supplementary information for the Manuscript, including all the graphics that were created, 2) 16S Reference Alignment, Phylogeny and Taxonomic Annotation used by SEPP, and 3) Data used in the manuscript as input for the graphics generation (namely, SEPP outputs and sequence multiplicities).
DOI: 10.34740/kaggle/dsv/7565052
title: Public Opinion Russia Ukraine War (Updated Daily)
DOI: 10.22000/1915
title: 3D Printable Polyelectrolyte Complex- integrated Interpenetrating Network Hydrogels with Customizable Mechanical Strength and pH-Responsiveness
DOI: 10.25919/92q5-p667
title: Parkes observations for project P1219 semester 2023OCTS_16

description: The magnetic field potentially regulates the process of star formation and the evolution of molecular clouds. It is inherently difficult to measure interstellar magnetic field strengths, with the measurement of Zeeman splitting a unique method to estimate the magnetic field strength along the line of sight directly. Despite the detection of Zeeman splitting in other mediums, there are as yet no Zeeman detections against compact background sources in quiescent molecular clouds or the cold neutral medium. Pulsars with extremely small solid angles and relatively high transverse velocities are ideal background sources to study the magnetic field in molecular clouds, providing a distinct signal to measure splitting against. There are four pulsars with OH absorption detections, namely PSR B1849+00, B1641-45, B1718-35, and B1749-28. We propose to utilize these four pulsars to explore the properties of the magnetic field and its variations within molecular clouds through both the Zeeman splitting of OH absorption and rotation measure estimations, between epochs. If a detection is confirmed, it will open a new window on the hard-to-measure magnetic fields in molecular clouds, independent of interpretation, thus shedding light on the physics of star formation and the interstellar medium.
DOI: 10.21227/n48f-3r25
title: example dataset

description: Lorem ipsum dolor sit amet, consectetur adipiscing elit, sed do eiusmod tempor incididunt ut labore et dolore magna aliqua. Ut enim ad minim veniam, quis nostrud exercitation ullamco laboris nisi ut aliquip ex ea commodo consequat. Duis aute irure dolor in reprehenderit in voluptate velit esse cillum dolore eu fugiat nulla pariatur. Excepteur sint occaecat cupidatat non proident, sunt in culpa qui officia deserunt mollit anim id est laborum.
DOI: 10.22002/vaf15-m6q45
title: Goethite step heat data
DOI: 10.25345/c5z31p059
title: MassIVE MSV000094019 - nanoRAPIDS, an analytical pipeline for the discovery of novel bioactive metabolites in complex culture extracts at nanoscale
title: Here we present an analytical platform for the efficient identification and prioritization of low abundance bioactive compounds at nanoliter scale, called nanoRAPIDS. NanoRAPIDS encompasses analytical scale separation and nanofractionation of natural extracts, followed by the bioassay of interest, automated mass spectrometry identification, and Global Natural Products Social molecular networking (GNPS) for dereplication. As little as 10 microliters crude extract is thereby fractionated into 384 fractions. First, bioactive congeners of iturins and surfactins were identified in Bacillus, based on their activity against Gram-positive bacteria, Gram-negative bacteria and/or fungi. Subsequently, bioactive molecules were identified in an extensive network of angucyclines elicited by catechol in cultures of Streptomyces sp. This allowed the discovery of a highly unusual N-acetylcysteine conjugate of saquayamycin, despite low production levels in an otherwise abundant molecular family. These data underline the utility and broad application of the technology for the prioritization of minor bioactive compounds in complex extracts.
DOI: 10.5281/zenodo.10258127
title: EBOV-AbDab

description: Database of EBOV specific mAb sequences.
DOI: 10.5281/zenodo.10258128
title: EBOV-AbDab

description: Database of EBOV specific mAb sequences.
DOI: 10.5281/zenodo.10564972
title: EBOV-AbDab

description: Database of EBOV specific mAb sequences.
DOI: 10.5517/ccdc.csd.cc2gk6gq
title: CCDC 2280653: Experimental Crystal Structure Determination

description: Related Article: Soumya Kanti Dawn, Stefanie Klisch, Gerald J. Schneider, Víctor García-López|2024|Mol. Syst. Des. Eng.|9|226|doi:10.1039/D3ME00165B
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.cc2h27wq
title: CCDC 2296073: Experimental Crystal Structure Determination

description: Related Article: Michelle A. Sturner, Isla D. Thomas, Joshua E. Owusu-Koramoah, Todd M. Reynolds, Steven M. Berry, Raymond J. Butcher, Deborah C. Bebout|2024|New J.Chem.|48|2547|doi:10.1039/D3NJ05532A
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.cc2h27xr
title: CCDC 2296074: Experimental Crystal Structure Determination

description: Related Article: Michelle A. Sturner, Isla D. Thomas, Joshua E. Owusu-Koramoah, Todd M. Reynolds, Steven M. Berry, Raymond J. Butcher, Deborah C. Bebout|2024|New J.Chem.|48|2547|doi:10.1039/D3NJ05532A
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.cc2hl6z9
title: CCDC 2311421: Experimental Crystal Structure Determination

description: Related Article: Michelle A. Sturner, Isla D. Thomas, Joshua E. Owusu-Koramoah, Todd M. Reynolds, Steven M. Berry, Raymond J. Butcher, Deborah C. Bebout|2024|New J.Chem.|48|2547|doi:10.1039/D3NJ05532A
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.cc2hl70c
title: CCDC 2311422: Experimental Crystal Structure Determination

description: Related Article: Michelle A. Sturner, Isla D. Thomas, Joshua E. Owusu-Koramoah, Todd M. Reynolds, Steven M. Berry, Raymond J. Butcher, Deborah C. Bebout|2024|New J.Chem.|48|2547|doi:10.1039/D3NJ05532A
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.10622185
title: An unusual pulse shape change event in PSR J1713+0747 observed with the Green Bank Telescope and CHIME: Profile data and figure reproduction scripts

description: This Zenodo entry contains data used in the paper "An unusual pulse shape change event in PSR J1713+0747 observed with the Green Bank Telescope and CHIME", to be published in The Astrophysical Journal. This includes minimally processed profile data in PSRFITS format, as well as pulsar ephemerides (.par files), time-of-arrival estimates (.tim files), and scripts which can be used to reproduce the figures and tables in the paper. For more information, see README.md.
DOI: 10.5281/zenodo.7236459
title: An unusual pulse shape change event in PSR J1713+0747 observed with the Green Bank Telescope and CHIME: Profile data and figure reproduction scripts

description: This Zenodo entry contains data used in the paper "An unusual pulse shape change event in PSR J1713+0747 observed with the Green Bank Telescope and CHIME", to be published in The Astrophysical Journal. This includes minimally processed profile data in PSRFITS format, as well as pulsar ephemerides (.par files), time-of-arrival estimates (.tim files), and scripts which can be used to reproduce the figures and tables in the paper. For more information, see README.md.
DOI: 10.34740/kaggle/dsv/7565249
title: crypto-data-daily-updates
DOI: 10.6084/m9.figshare.23502372
title: ORDerly supplementary datasets

description: Supplementary datasets used in ORDerly (i.e. the non-benchmark datasets)Condition prediction datasets: Contains parquet files for each of the four flavours of ORDerly-condition datasets that we used in the ORDerly paper. Condition prediction datasets config: Contains the .log and .json files showing the parameters used in cleaning and the impact on dataset size after each cleaning step.Transformer datasets: Contains plain txt files with the six transformer-ready datasets that were used for training/testing with Molecular Transformer. Non uspto data: Contains the datasets created with ORDerly from non-USPTO data in ORD. These datasets were used as test sets for forward prediction and retrosynthesis prediction.Preprint: https://chemrxiv.org/engage/chemrxiv/article-details/64ca5d3e4a3f7d0c0d78ca42Neurips workshop paper: https://openreview.net/forum?id=R8FQMsECISCode: https://github.com/sustainable-processes/orderlyThe ORDerly benchmark datasets can be found here: https://figshare.com/articles/dataset/ORDerly_chemical_reactions_condition_benchmarks/23298467Please feel free to contact me, Daniel Wigh, at dsw46@cam.ac.uk in case of any questions.