cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.ccvnfmj
title: CCDC 794208: Experimental Crystal Structure Determination

description: Related Article: Caroline Delehedde, Marcel Culcasi, Emilie Ricquebourg, Mathieu Cassien, Didier Siri, Bruno Blaive, Sylvia Pietri, Sophie Thétiot-Laurent|2022|Molecules|27|4506|doi:10.3390/molecules27144506
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.cc1q29hl
title: CCDC 1581139: Experimental Crystal Structure Determination

description: Related Article: Virginia L. Lobatto, Gustavo A. Argüello, Mino R. Caira, Elba I. Bujan|2019|J.Phys.Org.Chem.|32|e4006|doi:10.1002/poc.4006
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.ccvn6pc
title: CCDC 793993: Experimental Crystal Structure Determination

description: Related Article: Caroline Delehedde, Marcel Culcasi, Emilie Ricquebourg, Mathieu Cassien, Didier Siri, Bruno Blaive, Sylvia Pietri, Sophie Thétiot-Laurent|2022|Molecules|27|4506|doi:10.3390/molecules27144506
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.cc1q29jm
title: CCDC 1581140: Experimental Crystal Structure Determination

description: Related Article: Virginia L. Lobatto, Gustavo A. Argüello, Mino R. Caira, Elba I. Bujan|2019|J.Phys.Org.Chem.|32|e4006|doi:10.1002/poc.4006
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.cc1q29vy
title: CCDC 1581150: Experimental Crystal Structure Determination

description: Related Article: Virginia L. Lobatto, Gustavo A. Argüello, Mino R. Caira, Elba I. Bujan|2019|J.Phys.Org.Chem.|32|e4006|doi:10.1002/poc.4006
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.cc1yvzkb
title: CCDC 1813393: Experimental Crystal Structure Determination

description: Related Article: Li Fu-Gang, Liu Caiping, Yuan Daqiang, Dai Fangna, Wang Rongming, Wang Zhikun, Lu Xiaoqing, Sun Daofeng|2022|CCS Chem.|4|832|doi:10.31635/ccschem.021.202000738
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.cc1z5ysw
title: CCDC 1822979: Experimental Crystal Structure Determination

description: Related Article: Pei-Chieh Wu, Chih-Hsien Chen|2020|Lett.Org.Chem.|17|688|doi:10.2174/1570178617666200207103147
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.cc1zbfsj
title: CCDC 1827288: Experimental Crystal Structure Determination

description: Related Article: Krzysztof Marciniec, Rafał Kurczab, Maria Książek, Ewa Bębenek, Elwira Chrobak, Grzegorz Satała, Andrzej J. Bojarski, Joachim Kusz, Paweł Zajdel|2018|Chem.Cent.J.|12||doi:10.1186/s13065-018-0422-5
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.cc1zbftk
title: CCDC 1827289: Experimental Crystal Structure Determination

description: Related Article: Krzysztof Marciniec, Rafał Kurczab, Maria Książek, Ewa Bębenek, Elwira Chrobak, Grzegorz Satała, Andrzej J. Bojarski, Joachim Kusz, Paweł Zajdel|2018|Chem.Cent.J.|12||doi:10.1186/s13065-018-0422-5
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.cc1zbfvl
title: CCDC 1827290: Experimental Crystal Structure Determination

description: Related Article: Krzysztof Marciniec, Rafał Kurczab, Maria Książek, Ewa Bębenek, Elwira Chrobak, Grzegorz Satała, Andrzej J. Bojarski, Joachim Kusz, Paweł Zajdel|2018|Chem.Cent.J.|12||doi:10.1186/s13065-018-0422-5
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.cc1zbfwm
title: CCDC 1827291: Experimental Crystal Structure Determination

description: Related Article: Krzysztof Marciniec, Rafał Kurczab, Maria Książek, Ewa Bębenek, Elwira Chrobak, Grzegorz Satała, Andrzej J. Bojarski, Joachim Kusz, Paweł Zajdel|2018|Chem.Cent.J.|12||doi:10.1186/s13065-018-0422-5
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.cc1zbfxn
title: CCDC 1827292: Experimental Crystal Structure Determination

description: Related Article: Krzysztof Marciniec, Rafał Kurczab, Maria Książek, Ewa Bębenek, Elwira Chrobak, Grzegorz Satała, Andrzej J. Bojarski, Joachim Kusz, Paweł Zajdel|2018|Chem.Cent.J.|12||doi:10.1186/s13065-018-0422-5
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.cc206l50
title: CCDC 1853371: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc206l61
title: CCDC 1853372: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc206l72
title: CCDC 1853373: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc206l83
title: CCDC 1853374: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc206l94
title: CCDC 1853375: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc206lb5
title: CCDC 1853376: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc206lc6
title: CCDC 1853377: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.30581129.v2
title: DeepEvo

description: The identification of adaptively driven genes underlying human evolutionary traits remains a key challenge in evolutionary genomics. Here we present DeepEvo, an interpretable Siamese neural network that predicts cross-species expression differences from orthologous sequences while pinpointing evolutionary regulatory variants. DeepEvo outperforms existing methods in cross-species modeling, with validation through documented annotations and single-base perturbation assays (MPRA/Perturb-seq). We discover that unlike population-level variations that predominantly disrupt existing regulatory motifs, evolutionary regulatory variants frequently enhance existing motifs over longer timescales. These variants are enriched in disease-associated regions, indicating their shared functions underlying human evolution and disease. Furthermore, analysis of their combinatorial cis-regulation revealed an ‘additive effect’ model. Within this framework, genes can maintain global stability through compensatory changes, while simultaneously achieving precise, cell-type-specific expression changes. This insight led to a ‘concerted drive’ strategy, prioritizing four adaptively driven genes that function across multiple systems, based on coordinated pushes from multiple evolutionary regulatory elements. As validation, we focused on PRKD2, upregulated in humans through concordant cis-regulatory changes. PRKD2-depleted rhesus macaques exhibited multi-system alterations—including reduced neuronal activity, decreased dendritic complexity, altered functional connectivity of brain, elevated insulin levels and lymphocyte counts—recapitulating key human-rhesus phenotypic differences. Our framework deciphers the cis-regulatory grammar of human transcriptome evolution and provides an effective strategy for identifying adaptively driven genes, generalizable to other cross-species comparisons.
DOI: 10.5517/ccdc.csd.cc206ld7
title: CCDC 1853378: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc206lf8
title: CCDC 1853379: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc206lg9
title: CCDC 1853380: Experimental Crystal Structure Determination

description: Related Article: Thomas Hurrle, Franziska Gläser, Manuel C. Bröhmer, Martin Nieger, Stefan Bräse|2021|ChemistryOpen|10|587|doi:10.1002/open.202000343
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.cc2118q3
title: CCDC 1878064: Experimental Crystal Structure Determination

description: Related Article: C. Balakrishnan, S. P. Meenakshisundaram, P. Suppuraj, S. Bhuvaneshwari, G. Vinitha |2024|J.Mater Sci: Mater Electron.|35|2018|doi:10.1007/s10854-024-13771-2
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.cc24j6yv
title: CCDC 1981797: Experimental Crystal Structure Determination

description: Related Article: Yelda Bingöl Alpaslan, Halil Gökce, Mustafa Macit, Serdal Kaya, Gökhan Alpaslan|2021|J.Chin.Chem.Soc.(Taipei)|68|989|doi:10.1002/jccs.202000285
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.cc26xhd1
title: CCDC 2053173: Experimental Crystal Structure Determination

description: Related Article: Xi Liu, Xue-Chun Zhang, Si Shu, Yu-Shu Zhu, Kunlin Huang|2023|Inorg.Chim.Acta|554|121566|doi:10.1016/j.ica.2023.121566
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.cc26xhf2
title: CCDC 2053174: Experimental Crystal Structure Determination

description: Related Article: Xi Liu, Xue-Chun Zhang, Si Shu, Yu-Shu Zhu, Kunlin Huang|2023|Inorg.Chim.Acta|554|121566|doi:10.1016/j.ica.2023.121566
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.cc26xhh4
title: CCDC 2053176: Experimental Crystal Structure Determination

description: Related Article: Xi Liu, Xue-Chun Zhang, Si Shu, Yu-Shu Zhu, Kunlin Huang|2023|Inorg.Chim.Acta|554|121566|doi:10.1016/j.ica.2023.121566
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.cc283fc6
title: CCDC 2088667: Experimental Crystal Structure Determination

description: Related Article: Y.-Z. Huang, R. Yang, L. Zhang, Z.-N.Chen|2024|Proc.Nat.Acad.Sci.USA|121|e2403721121|doi:10.1073/pnas.2403721121
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.cc283fd7
title: CCDC 2088668: Experimental Crystal Structure Determination

description: Related Article: Y.-Z. Huang, R. Yang, L. Zhang, Z.-N.Chen|2024|Proc.Nat.Acad.Sci.USA|121|e2403721121|doi:10.1073/pnas.2403721121
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.cc283ff8
title: CCDC 2088669: Experimental Crystal Structure Determination

description: Related Article: Y.-Z. Huang, R. Yang, L. Zhang, Z.-N.Chen|2024|Proc.Nat.Acad.Sci.USA|121|e2403721121|doi:10.1073/pnas.2403721121
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.cc28g0pg
title: CCDC 2098845: Experimental Crystal Structure Determination

description: Related Article: Shaima Hkiri, Marwa Mekni-Toujani, Soufiane Touil, Ali Samarat, Elvan Üstün, David Sémeril |2023|Pharmaceutics|15|114|doi:10.3390/pharmaceutics15010114
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.cc28l355
title: CCDC 2102766: Experimental Crystal Structure Determination

description: Related Article: L. Schmidt, D. Wagner, M. Nieger, S. Bräse|2022|Molecules|27|4369|doi:10.3390/molecules27144369
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.cc28l366
title: CCDC 2102767: Experimental Crystal Structure Determination

description: Related Article: L. Schmidt, D. Wagner, M. Nieger, S. Bräse|2022|Molecules|27|4369|doi:10.3390/molecules27144369
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.cc28l377
title: CCDC 2102768: Experimental Crystal Structure Determination

description: Related Article: L. Schmidt, D. Wagner, M. Nieger, S. Bräse|2022|Molecules|27|4369|doi:10.3390/molecules27144369
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.