cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccvctqq
title: CCDC 785934: Experimental Crystal Structure Determination

description: Related Article: Erli Lu, Jaixiang Chu, Yaofeng Chen, M.V.Borzov, Guangyu Li|2011|Chem.Commun.|47|743|doi:10.1039/c0cc03212c
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/ccvj4wc
title: CCDC 790093: Experimental Crystal Structure Determination

description: Related Article: Di Sun, Dan-Feng Wang, Xi-Guang Han, Na Zhang, Rong-Bon Huang, Lan-Sun Zheng|2011|Chem.Commun.|47|746|doi:10.1039/c0cc03534c
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/ccvj4xd
title: CCDC 790094: Experimental Crystal Structure Determination

description: Related Article: Di Sun, Dan-Feng Wang, Xi-Guang Han, Na Zhang, Rong-Bon Huang, Lan-Sun Zheng|2011|Chem.Commun.|47|746|doi:10.1039/c0cc03534c
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/ccthlvq
title: CCDC 759774: Experimental Crystal Structure Determination

description: Related Article: Yan Hu, Fang Luo, Fangfang Dong|2011|Chem.Commun.|47|761|doi:10.1039/c0cc02965c
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/ccv4ft6
title: CCDC 778838: Experimental Crystal Structure Determination

description: Related Article: Yan-Xi Tan, Fei Wang, Yao Kang, Jian Zhang|2011|Chem.Commun.|47|770|doi:10.1039/c0cc04095a
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/ccvg3lz
title: CCDC 788131: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3m0
title: CCDC 788132: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3n1
title: CCDC 788133: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3p2
title: CCDC 788134: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3q3
title: CCDC 788135: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3r4
title: CCDC 788136: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3s5
title: CCDC 788137: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3t6
title: CCDC 788138: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3v7
title: CCDC 788139: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccvg3w8
title: CCDC 788140: Experimental Crystal Structure Determination

description: Related Article: M.Alcarazo, K.Radkowski, R.Goddard, A.Furstner|2011|Chem.Commun.|47|776|doi:10.1039/c0cc03128c
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/ccv8zkm
title: CCDC 783201: Experimental Crystal Structure Determination

description: Related Article: Ho Yong Lee, A.Olasz, M.Pink, Hyunsoo Park, Dongwhan Lee|2011|Chem.Commun.|47|481|doi:10.1039/c0cc02177f
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/ccv8zln
title: CCDC 783202: Experimental Crystal Structure Determination

description: Related Article: Ho Yong Lee, A.Olasz, M.Pink, Hyunsoo Park, Dongwhan Lee|2011|Chem.Commun.|47|481|doi:10.1039/c0cc02177f
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/ccv8zpr
title: CCDC 783205: Experimental Crystal Structure Determination

description: Related Article: N.Tsoureas, Yu-Ying Kuo, M.F.Haddow, G.R.Owen|2011|Chem.Commun.|47|484|doi:10.1039/c0cc02245d
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/ccv8zqs
title: CCDC 783206: Experimental Crystal Structure Determination

description: Related Article: N.Tsoureas, Yu-Ying Kuo, M.F.Haddow, G.R.Owen|2011|Chem.Commun.|47|484|doi:10.1039/c0cc02245d
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/ccv8zrt
title: CCDC 783207: Experimental Crystal Structure Determination

description: Related Article: N.Tsoureas, Yu-Ying Kuo, M.F.Haddow, G.R.Owen|2011|Chem.Commun.|47|484|doi:10.1039/c0cc02245d
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/ccv8zsv
title: CCDC 783208: Experimental Crystal Structure Determination

description: Related Article: N.Tsoureas, Yu-Ying Kuo, M.F.Haddow, G.R.Owen|2011|Chem.Commun.|47|484|doi:10.1039/c0cc02245d
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/cctxjgp
title: CCDC 772193: Experimental Crystal Structure Determination

description: Related Article: Ke-Jia Wu, Gong-Qiang Li, Yi Li, Li-Xin Dai, Shu-Li You|2011|Chem.Commun.|47|493|doi:10.1039/c0cc01769h
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/ccv8ztw
title: CCDC 783209: Experimental Crystal Structure Determination

description: Related Article: N.Tsoureas, Yu-Ying Kuo, M.F.Haddow, G.R.Owen|2011|Chem.Commun.|47|484|doi:10.1039/c0cc02245d
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/ccv8zvx
title: CCDC 783210: Experimental Crystal Structure Determination

description: Related Article: M.Wenzel, Q.W.Knapp, P.G.Plieger|2011|Chem.Commun.|47|499|doi:10.1039/c0cc02230f
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/ccv8zwy
title: CCDC 783211: Experimental Crystal Structure Determination

description: Related Article: M.Wenzel, Q.W.Knapp, P.G.Plieger|2011|Chem.Commun.|47|499|doi:10.1039/c0cc02230f
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/ccv8zxz
title: CCDC 783212: Experimental Crystal Structure Determination

description: Related Article: M.Wenzel, Q.W.Knapp, P.G.Plieger|2011|Chem.Commun.|47|499|doi:10.1039/c0cc02230f
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/ccv8znq
title: CCDC 783204: Experimental Crystal Structure Determination

description: Related Article: N.Kulisic, S.More, A.Mateo-Alonso|2011|Chem.Commun.|47|514|doi:10.1039/c0cc02249g
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/ccv8zy0
title: CCDC 783213: Experimental Crystal Structure Determination

description: Related Article: M.Wenzel, Q.W.Knapp, P.G.Plieger|2011|Chem.Commun.|47|499|doi:10.1039/c0cc02230f
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/ccvb5nz
title: CCDC 784351: Experimental Crystal Structure Determination

description: Related Article: A.Hazra, P.Kanoo, T.K.Maji|2011|Chem.Commun.|47|538|doi:10.1039/c0cc02490b
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/ccv88jw
title: CCDC 782518: Experimental Crystal Structure Determination

description: Related Article: M.Montag, C.R.Clough, P.Muller, C.C.Cummins|2011|Chem.Commun.|47|662|doi:10.1039/c0cc04342g
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/ccv88kx
title: CCDC 782519: Experimental Crystal Structure Determination

description: Related Article: M.Montag, C.R.Clough, P.Muller, C.C.Cummins|2011|Chem.Commun.|47|662|doi:10.1039/c0cc04342g
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/ccvkxy7
title: CCDC 791800: Experimental Crystal Structure Determination

description: Related Article: L.Ma, B.O.Patrick, D.Dolphin|2011|Chem.Commun.|47|704|doi:10.1039/c0cc03765f
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/ccvkp8b
title: CCDC 791562: Experimental Crystal Structure Determination

description: Related Article: D.Aguila, L.A.Barrios, O.Roubeau, S.J.Teat, G.Aromi|2011|Chem.Commun.|47|707|doi:10.1039/c0cc03646c
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/ccvkxz8
title: CCDC 791801: Experimental Crystal Structure Determination

description: Related Article: L.Ma, B.O.Patrick, D.Dolphin|2011|Chem.Commun.|47|704|doi:10.1039/c0cc03765f
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.22337722
title: From bulk to single-cell and spatial data: An AI framework to characterise breast cancer metabolic dysregulations across modalities

description: <br>The data folder contains the data files that were used in "From bulk to single-cell and spatial data: An AI framework to characterise breast cancer metabolic dysregulations across modalities" project:- raw (clinical_Original.csv) and preprocessed clinical data (clinical_data.csv)- raw transcriptomic data (TCGA-noise-ENSG.csv)- breast Gtext data (Gtex-noiso-ENSG.csv)- fluxomic data generated from genome-scale metabolic model (flux-test.csv)- Raw count, metadata and preprocessed single-cell transcriptomic objects for validation (are also available at: https://drive.google.com/drive/folders/1KnE2knUyaMq-7DVrUaHJEBR2CdiDhNJw?usp=sharing)- Spatial transcriptomic data (Spatial_738811QB) for validation- Reactions mapping of fluxomic dataLink to paper: https://www.sciencedirect.com/science/article/pii/S0010482525015483
DOI: 10.6084/m9.figshare.22337722.v8
title: From bulk to single-cell and spatial data: An AI framework to characterise breast cancer metabolic dysregulations across modalities

description: <br>The data folder contains the data files that were used in "From bulk to single-cell and spatial data: An AI framework to characterise breast cancer metabolic dysregulations across modalities" project:- raw (clinical_Original.csv) and preprocessed clinical data (clinical_data.csv)- raw transcriptomic data (TCGA-noise-ENSG.csv)- breast Gtext data (Gtex-noiso-ENSG.csv)- fluxomic data generated from genome-scale metabolic model (flux-test.csv)- Raw count, metadata and preprocessed single-cell transcriptomic objects for validation (are also available at: https://drive.google.com/drive/folders/1KnE2knUyaMq-7DVrUaHJEBR2CdiDhNJw?usp=sharing)- Spatial transcriptomic data (Spatial_738811QB) for validation- Reactions mapping of fluxomic dataLink to paper: https://www.sciencedirect.com/science/article/pii/S0010482525015483
DOI: 10.5517/ccvkp9c
title: CCDC 791563: Experimental Crystal Structure Determination

description: Related Article: D.Aguila, L.A.Barrios, O.Roubeau, S.J.Teat, G.Aromi|2011|Chem.Commun.|47|707|doi:10.1039/c0cc03646c
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.22337722.v7
title: From bulk to single-cell and spatial data: An AI framework to characterise breast cancer metabolic dysregulations across modalities

description: <br>The data folder contains the data files that were used in "From bulk to single-cell and spatial data: An AI framework to characterise breast cancer metabolic dysregulations across modalities" project:- raw (clinical_Original.csv) and preprocessed clinical data (clinical_data.csv)- raw transcriptomic data (TCGA-noise-ENSG.csv)- breast Gtext data (Gtex-noiso-ENSG.csv)- fluxomic data generated from genome-scale metabolic model (flux-test.csv)- Raw count, metadata and preprocessed single-cell transcriptomic objects for validation (are also available at: https://drive.google.com/drive/folders/1KnE2knUyaMq-7DVrUaHJEBR2CdiDhNJw?usp=sharing)- Spatial transcriptomic data (Spatial_738811QB) for validation- Reactions mapping of fluxomic data<br>
DOI: 10.5517/ccsyllw
title: CCDC 743429: Experimental Crystal Structure Determination

description: Related Article: J.B.H.Strautmann, S.Walleck, H.Bogge, A.Stammler, T.Glaser|2011|Chem.Commun.|47|695|doi:10.1039/c0cc03098h
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.