cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccwhdk9
title: CCDC 819161: Experimental Crystal Structure Determination

description: Related Article: P.Sahoo, I.Chakraborty, P.Dastidar|2012|Soft Matter|8|2595|doi:10.1039/c2sm06957a
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/ccwrs1f
title: CCDC 827205: Experimental Crystal Structure Determination

description: Related Article: S.Maity, P.Jana, S.K.Maity, D.Haldar|2011|Soft Matter|7|10174|doi:10.1039/c1sm05958k
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/ccwxnl0
title: CCDC 831903: Experimental Crystal Structure Determination

description: Related Article: P.Jana, S.Maity, S.K.Maity, P.K.Ghorai, D.Haldar|2012|Soft Matter|8|5621|doi:10.1039/c2sm25062d
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/ccx3bw6
title: CCDC 837368: Experimental Crystal Structure Determination

description: Related Article: G.O.Lloyd, M.-O.Piepenbrock, J.A.Foster, N.Clarke, J.W.Steed|2012|Soft Matter|8|204|doi:10.1039/c1sm06448g
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: 10.13140/rg.2.2.15302.69442
title: Best Paper Award
DOI: 10.5517/ccw68lx
title: CCDC 810389: Experimental Crystal Structure Determination

description: Related Article: B.G.Ongarora, Xiaoke Hu, Hairong Li, F.R.Fronczek, M.G.H.Vicente|2012|MedChemComm|3|179|doi:10.1039/c1md00232e
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/ccw68my
title: CCDC 810390: Experimental Crystal Structure Determination

description: Related Article: B.G.Ongarora, Xiaoke Hu, Hairong Li, F.R.Fronczek, M.G.H.Vicente|2012|MedChemComm|3|179|doi:10.1039/c1md00232e
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/ccw68nz
title: CCDC 810391: Experimental Crystal Structure Determination

description: Related Article: B.G.Ongarora, Xiaoke Hu, Hairong Li, F.R.Fronczek, M.G.H.Vicente|2012|MedChemComm|3|179|doi:10.1039/c1md00232e
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/ccx17pv
title: CCDC 835347: Experimental Crystal Structure Determination

description: Related Article: B.G.Ongarora, Xiaoke Hu, Hairong Li, F.R.Fronczek, M.G.H.Vicente|2012|MedChemComm|3|179|doi:10.1039/c1md00232e
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/ccwgtjn
title: CCDC 818602: Experimental Crystal Structure Determination

description: Related Article: A.Nakhi, B.Prasad, U.Reddy, R.M.Rao, S.Sandra, R.Kapavarapu, D.Rambabu, G.R.Krishna, C.M.Reddy, K.Ravada, P.Misra, J.Iqbal, M.Pal|2011|MedChemComm|2|1006|doi:10.1039/c1md00148e
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/ccwgty2
title: CCDC 818615: Experimental Crystal Structure Determination

description: Related Article: A.Nakhi, B.Prasad, U.Reddy, R.M.Rao, S.Sandra, R.Kapavarapu, D.Rambabu, G.R.Krishna, C.M.Reddy, K.Ravada, P.Misra, J.Iqbal, M.Pal|2011|MedChemComm|2|1006|doi:10.1039/c1md00148e
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/ccwhpvw
title: CCDC 819449: Experimental Crystal Structure Determination

description: Related Article: C.Lecoutey, C.Rochais, D.Genest, S.Butt-Guelle, C.Ballandonne, S.Corvaisier, F.Dulin, A.Lepailleur, J.S.O.Santos, P.Dallemagne|2012|MedChemComm|3|627|doi:10.1039/c2md20063e
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/ccx38s1
title: CCDC 837303: Experimental Crystal Structure Determination

description: Related Article: K.M.Prevatt-Smith, K.M.Lovell, D.S.Simpson, V.W.Day, J.T.Douglas, P.Bosch, C.M.Dersch, R.B.Rothman, B.Kivell, T.E.Prisinzano|2011|MedChemComm|2|1217|doi:10.1039/c1md00192b
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.17409085
title: Data splits for "Multimodal Out-of-Distribution Individual Uncertainty Quantification Enhances Binding Affinity Prediction for Polypharmacology"

description: Scaffold split and UMAP-based split for the ChEMBL 33 dataset.
DOI: 10.5517/ccx4yml
title: CCDC 838910: Experimental Crystal Structure Determination

description: Related Article: J.Spencer, J.Amin, R.Boddiboyen, G.Packham, B.E.Cavell, S.S.S.Alwi, R.M.Paranal, T.D.Heightman, Minghua Wang, B.Marsden, P.Coxhead, M.Guille, G.J.Tizzard, S.J.Coles, J.E.Bradner|2012|MedChemComm|3|61|doi:10.1039/c1md00203a
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/ccxgd6y
title: CCDC 847980: Experimental Crystal Structure Determination

description: Related Article: D.Pucci, T.Bellini, A.Crispini, I.D'Agnano, P.F.Liguori, P.Garcia-Orduna, S.Pirillo, A.Valentini, G.Zanchetta|2012|MedChemComm|3|462|doi:10.1039/c2md00261b
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: 10.13140/rg.2.2.32892.55688
title: R script Neuromics
DOI: 10.5517/cct5k4n
title: CCDC 750111: Experimental Crystal Structure Determination

description: Related Article: R.L.Cordiner, P.A.Gugger, A.F.Hill, A.C.Willis|2009|Organometallics|28|6632|doi:10.1021/om900868s
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/ccxc46l
title: CCDC 844849: Experimental Crystal Structure Determination

description: Related Article: J.M.Engle, C.N.Carroll, D.W.Johnson, M.M.Haley|2012|Chemical Science|3|1105|doi:10.1039/c2sc00975g
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/ccxm7b2
title: CCDC 852634: Experimental Crystal Structure Determination

description: Related Article: P.Sathyadevi, P.Krishnamoorthy, R.R.Butorac, A.H.Cowley, N.Dharmaraj|2012|Metallomics|4|498|doi:10.1039/c2mt00004k
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/ccwv3xq
title: CCDC 829464: Experimental Crystal Structure Determination

description: Related Article: P.Sathyadevi, P.Krishnamoorthy, R.R.Butorac, A.H.Cowley, N.Dharmaraj|2012|Metallomics|4|498|doi:10.1039/c2mt00004k
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/ccyp06t
title: CCDC 884126: Experimental Crystal Structure Determination

description: Related Article: Jean-Baptiste Farcet, Martin Himmelbauer and Johann Mulzer|2013|Eur.J.Org.Chem.|2013|4379|doi:10.1002/ejoc.201300382
description: Related Article: J.-B.Farcet, M.Himmelbauer, J.Mulzer|2012|Org.Lett.|14|2195|doi:10.1021/ol3006419
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/ccxwmcr
title: CCDC 860695: Experimental Crystal Structure Determination

description: Related Article: Meng-Yang Chang, Tein-Wei Lee, Ming-Hao Wu|2012|Org.Lett.|14|2198|doi:10.1021/ol3006979
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/ccxwpv9
title: CCDC 860772: Experimental Crystal Structure Determination

description: Related Article: Meng-Yang Chang, Tein-Wei Lee, Ming-Hao Wu|2012|Org.Lett.|14|2198|doi:10.1021/ol3006979
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/ccxgxmw
title: CCDC 848489: Experimental Crystal Structure Determination

description: Related Article: Yicheng Zhang, Min Wang, Pinhua Li, Lei Wang|2012|Org.Lett.|14|2206|doi:10.1021/ol300391t
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/ccxwpwb
title: CCDC 860773: Experimental Crystal Structure Determination

description: Related Article: Meng-Yang Chang, Tein-Wei Lee, Ming-Hao Wu|2012|Org.Lett.|14|2198|doi:10.1021/ol3006979
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/ccy2p8y
title: CCDC 866520: Experimental Crystal Structure Determination

description: Related Article: N.V.Hanhan, Y.C.Tang, N.T.Tran, A.K.Franz|2012|Org.Lett.|14|2218|doi:10.1021/ol300496v
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/ccyp07v
title: CCDC 884127: Experimental Crystal Structure Determination

description: Related Article: Junwei Wang, Yucheng Yuan, Rui Xiong, D.Zhang-Negrerie, Yunfei Du, Kang Zhao|2012|Org.Lett.|14|2210|doi:10.1021/ol300418h
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/ccy2g0g
title: CCDC 866295: Experimental Crystal Structure Determination

description: Related Article: Marie Betou, Louise Male, Jonathan W. Steed, Richard S. Grainger|2014|Chem.-Eur.J.|20|6505|doi:10.1002/chem.201304982
description: Related Article: R.S.Grainger, M.Betou, L.Male, M.B.Pitak, S.J.Coles|2012|Org.Lett.|14|2234|doi:10.1021/ol300605y
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/ccy2g1h
title: CCDC 866296: Experimental Crystal Structure Determination

description: Related Article: Marie Betou, Louise Male, Jonathan W. Steed, Richard S. Grainger|2014|Chem.-Eur.J.|20|6505|doi:10.1002/chem.201304982
description: Related Article: R.S.Grainger, M.Betou, L.Male, M.B.Pitak, S.J.Coles|2012|Org.Lett.|14|2234|doi:10.1021/ol300605y
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/ccy2g2j
title: CCDC 866297: Experimental Crystal Structure Determination

description: Related Article: Marie Betou, Louise Male, Jonathan W. Steed, Richard S. Grainger|2014|Chem.-Eur.J.|20|6505|doi:10.1002/chem.201304982
description: Related Article: R.S.Grainger, M.Betou, L.Male, M.B.Pitak, S.J.Coles|2012|Org.Lett.|14|2234|doi:10.1021/ol300605y
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/ccy2g3k
title: CCDC 866298: Experimental Crystal Structure Determination

description: Related Article: Marie Betou, Louise Male, Jonathan W. Steed, Richard S. Grainger|2014|Chem.-Eur.J.|20|6505|doi:10.1002/chem.201304982
description: Related Article: R.S.Grainger, M.Betou, L.Male, M.B.Pitak, S.J.Coles|2012|Org.Lett.|14|2234|doi:10.1021/ol300605y
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: 10.13140/rg.2.2.32669.73442
title: Elektronik Para ve Ödeme Kuruluşlarının Banka ve Sigorta Muameleleri Vergisi açsından değerlendirilmesi
DOI: 10.5517/ccy65bm
title: CCDC 869870: Experimental Crystal Structure Determination

description: Related Article: Marie Betou, Louise Male, Jonathan W. Steed, Richard S. Grainger|2014|Chem.-Eur.J.|20|6505|doi:10.1002/chem.201304982
description: Related Article: R.S.Grainger, M.Betou, L.Male, M.B.Pitak, S.J.Coles|2012|Org.Lett.|14|2234|doi:10.1021/ol300605y
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/ccyp6sl
title: CCDC 884330: Experimental Crystal Structure Determination

description: Related Article: Peiming Gu, Yan Su, Xiu-Ping Wu, Jian Sun, Wanyi Liu, Ping Xue, Rui Li|2012|Org.Lett.|14|2246|doi:10.1021/ol3006437
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/ccxypvc
title: CCDC 862694: Experimental Crystal Structure Determination

description: Related Article: H.Yamamoto, I.Sasaki, S.Shiomi, N.Yamazaki, H.Imagawa|2012|Org.Lett.|14|2266|doi:10.1021/ol300678r
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: 10.13140/rg.2.2.15787.66088
title: Supplementary Material 1, Reyes-Puig et al., 2023. Rensch’s rule: linking intraspecific to evolutionary allometry
DOI: 10.5517/ccxypwd
title: CCDC 862695: Experimental Crystal Structure Determination

description: Related Article: H.Yamamoto, I.Sasaki, S.Shiomi, N.Yamazaki, H.Imagawa|2012|Org.Lett.|14|2266|doi:10.1021/ol300678r
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/ccyp772
title: CCDC 884344: Experimental Crystal Structure Determination

description: Related Article: P.Ivashkin, S.Couve-Bonnaire, P.Jubault, X.Pannecoucke|2012|Org.Lett.|14|2270|doi:10.1021/ol300687s
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/ccyp6tm
title: CCDC 884331: Experimental Crystal Structure Determination

description: Related Article: H.M.Lima, R.Sivappa, M.Yousufuddin, C.J.Lovely|2012|Org.Lett.|14|2274|doi:10.1021/ol300704w
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/ccyp6vn
title: CCDC 884332: Experimental Crystal Structure Determination

description: Related Article: H.M.Lima, R.Sivappa, M.Yousufuddin, C.J.Lovely|2012|Org.Lett.|14|2274|doi:10.1021/ol300704w
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/ccy62x3
title: CCDC 869795: Experimental Crystal Structure Determination

description: Related Article: Changgui Zhao, Huaiji Zheng, Peng Jing, Bowen Fang, Xingang Xie, Xuegong She|2012|Org.Lett.|14|2293|doi:10.1021/ol3007138
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.