cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/cc13kcgh
title: CCDC 1029586: Experimental Crystal Structure Determination

description: Related Article: Ju-Wen Zhang, Xiao-Min Kan, Bin-Qiu Liu, Guo-Cheng Liu, Ai-Xiang Tian, Xiu-Li Wang|2015|Chem.-Eur.J.|21|16219|doi:10.1002/chem.201502203
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/cc13kchj
title: CCDC 1029587: Experimental Crystal Structure Determination

description: Related Article: Ju-Wen Zhang, Xiao-Min Kan, Bin-Qiu Liu, Guo-Cheng Liu, Ai-Xiang Tian, Xiu-Li Wang|2015|Chem.-Eur.J.|21|16219|doi:10.1002/chem.201502203
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/cc13kcjk
title: CCDC 1029588: Experimental Crystal Structure Determination

description: Related Article: Ju-Wen Zhang, Xiao-Min Kan, Bin-Qiu Liu, Guo-Cheng Liu, Ai-Xiang Tian, Xiu-Li Wang|2015|Chem.-Eur.J.|21|16219|doi:10.1002/chem.201502203
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/cc13kcrs
title: CCDC 1029595: Experimental Crystal Structure Determination

description: Related Article: Chandani Rani Das , Subash Chandra Sahoo , Manabendra Ray|2014|Cryst.Growth Des.|14|3958|doi:10.1021/cg5005566
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/cc13kcst
title: CCDC 1029596: Experimental Crystal Structure Determination

description: Related Article: Chandani Rani Das , Subash Chandra Sahoo , Manabendra Ray|2014|Cryst.Growth Des.|14|3958|doi:10.1021/cg5005566
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/cc13kctv
title: CCDC 1029597: Experimental Crystal Structure Determination

description: Related Article: Chandani Rani Das , Subash Chandra Sahoo , Manabendra Ray|2014|Cryst.Growth Des.|14|3958|doi:10.1021/cg5005566
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/cc13k9zy
title: CCDC 1029540: Experimental Crystal Structure Determination

description: Related Article: J.M. White, P. Blanc|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|1109|doi:10.1107/S2053229614022724
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/cc13kb00
title: CCDC 1029541: Experimental Crystal Structure Determination

description: Related Article: J.M. White, P. Blanc|2014|Acta Crystallogr.,Sect.C:Cryst.Struct.Chem.|70|1109|doi:10.1107/S2053229614022724
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/cc12l5d7
title: CCDC 1000568: Experimental Crystal Structure Determination

description: Related Article: Bo He ,  Andrew B. Pun ,  Liana M. Klivansky ,  Alexandra M. McGough ,  Yifan Ye ,  Junfa Zhu ,  Jinghua Guo ,  Simon J. Teat ,  and Yi Liu|2014|Chem.Mater.|26|3920|doi:10.1021/cm5018272
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/cc13kb77
title: CCDC 1029548: Experimental Crystal Structure Determination

description: Related Article: Jiao Xiong, Jinjin Zhang, Yangyang Sun, Zhongran Dai, Xiaobo Pan, Jincai Wu|2015|Inorg.Chem.|54|1737|doi:10.1021/ic502685f
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/cc12fzt9
title: CCDC 996551: Experimental Crystal Structure Determination

description: Related Article: Szymon Chorazy ,  Koji Nakabayashi ,  Shin-ichi Ohkoshi ,  and Barbara Sieklucka|2014|Chem.Mater.|26|4072|doi:10.1021/cm501954e
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.17420660
title: Quantum-Informed Holistic Hormonal Therapy (QHHT): A Unified Multidisciplinary Framework for Treating Female-Specific Cancers through Non-Equilibrium Hormonal and Cellular Reprogramming

description: The Quantum-Informed Holistic Hormonal Therapy (QHHT) framework presents a unified multidisciplinary approach to treat female-specific cancers (breast, ovarian, endometrial, cervical) by targeting the Dynamic Hormonal Field (DHF) as the driver of non-equilibrium tissue dynamics. QHHT integrates quantum chemistry, non-equilibrium thermodynamics, multiscale modeling, and a hybrid AI system combining physics-informed neural networks (PINNs), graph neural networks (GNNs), and reinforcement learning (RL) to deliver adaptive, personalized therapeutics. Cancer is modeled as a deviation from the minimum entropy production state, quantified through Onsager’s reciprocal relations, Fokker-Planck dynamics, fluctuation theorems, and density functional theory (DFT)-derived receptor-ligand interactions, utilizing time-dependent DFT (TD-DFT) and quantum mechanics/molecular mechanics (QM/MM) for precise analog design. Cross-scale coupling ensures energy conservation across quantum, molecular, cellular, and tissue levels. GNNs employ dynamic coarse-graining, with node counts scaling inversely with the spatial correlation length of entropy fluctuations, to model tumor heterogeneity. Real-time hormonal and immune data from wearable biosensors drive RL-optimized treatments, incorporating counter-regulatory hormones (e.g., cortisol, androgens) to prevent off-target entropy spikes. Organ-on-a-chip platforms measure entropy production components (chemical and transport) via nonequilibrium molecular dynamics (NEMD) and micro-calorimetry, validated against PINN predictions. SHAP-based explainable AI ensures clinical interpretability. QHHT correlates entropy minimization with suppression of oncogenic pathways (e.g., PI3K/AKT/mTOR) and immune activation, achieving scalability, reproducibility, and equity through open-source models and decentralized nanomanufacturing. This framework establishes a theoretically rigorous and practically implementable paradigm for precision oncology.
DOI: 10.5517/cc13kb88
title: CCDC 1029549: Experimental Crystal Structure Determination

description: Related Article: Hanaa Taghzouti, Sophie Goumain, Dominique Harakat, Charles Portella, Jean-Bernard Behr, Richard Plantier-Royon|2015|Bioorg.Chem.|58|11|doi:10.1016/j.bioorg.2014.11.003
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/cc13kckl
title: CCDC 1029589: Experimental Crystal Structure Determination

description: Related Article: Jonathan R. Moulins, Jeremy A. Hughes, Lauren E. Doyle, T. Stanley Cameron, D. Jean Burnell|2015|Eur.J.Org.Chem.|2015|1325|doi:10.1002/ejoc.201403371
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/cc13kclm
title: CCDC 1029590: Experimental Crystal Structure Determination

description: Related Article: Jonathan R. Moulins, Jeremy A. Hughes, Lauren E. Doyle, T. Stanley Cameron, D. Jean Burnell|2015|Eur.J.Org.Chem.|2015|1325|doi:10.1002/ejoc.201403371
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/cc13kcmn
title: CCDC 1029591: Experimental Crystal Structure Determination

description: Related Article: Jonathan R. Moulins, Jeremy A. Hughes, Lauren E. Doyle, T. Stanley Cameron, D. Jean Burnell|2015|Eur.J.Org.Chem.|2015|1325|doi:10.1002/ejoc.201403371
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/cc13kcnp
title: CCDC 1029592: Experimental Crystal Structure Determination

description: Related Article: Jonathan R. Moulins, Jeremy A. Hughes, Lauren E. Doyle, T. Stanley Cameron, D. Jean Burnell|2015|Eur.J.Org.Chem.|2015|1325|doi:10.1002/ejoc.201403371
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/cc13kcpq
title: CCDC 1029593: Experimental Crystal Structure Determination

description: Related Article: Jonathan R. Moulins, Jeremy A. Hughes, Lauren E. Doyle, T. Stanley Cameron, D. Jean Burnell|2015|Eur.J.Org.Chem.|2015|1325|doi:10.1002/ejoc.201403371
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/cc13kcqr
title: CCDC 1029594: Experimental Crystal Structure Determination

description: Related Article: Jonathan R. Moulins, Jeremy A. Hughes, Lauren E. Doyle, T. Stanley Cameron, D. Jean Burnell|2015|Eur.J.Org.Chem.|2015|1325|doi:10.1002/ejoc.201403371
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/cc13kcvw
title: CCDC 1029598: Experimental Crystal Structure Determination

description: Related Article: Jin-Tang Cheng, Xiang-Yu Chen, Song Ye|2015|Org.Biomol.Chem.|13|1313|doi:10.1039/C4OB02330G
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/cc13kb99
title: CCDC 1029550: Experimental Crystal Structure Determination

description: Related Article: Mohammad Ali Kamyabi, Fatemeh Soleymani-Bonoti, Rahman Bikas, Hassan Hosseini-Monfared, Nematollah Arshadi, Milosz Siczek, Tadeusz Lis|2015|Phys.Chem.Chem.Phys.(PCCP)|17|32161|doi:10.1039/C5CP04695E
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/cc13kcwx
title: CCDC 1029599: Experimental Crystal Structure Determination

description: Related Article: Qiao Zhang,  John D. Gorden,  and Christian R. Goldsmith|2013|Inorg.Chem.|52|13546|doi:10.1021/ic402501k
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/cc12fc62
title: CCDC 995943: Experimental Crystal Structure Determination

description: Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
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/cc12fc73
title: CCDC 995944: Experimental Crystal Structure Determination

description: Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
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/cc12fc84
title: CCDC 995945: Experimental Crystal Structure Determination

description: Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
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/cc12fc95
title: CCDC 995946: Experimental Crystal Structure Determination

description: Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
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/cc12fcb6
title: CCDC 995947: Experimental Crystal Structure Determination

description: Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
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/cc12fcc7
title: CCDC 995948: Experimental Crystal Structure Determination

description: Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
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/cc12fcd8
title: CCDC 995949: Experimental Crystal Structure Determination

description: Related Article: Maria-Gabriela Alexandru, Diana Visinescu, Marius Andruh, Nadia Marino, Donatella Armentano, Joan Cano, Francesc Lloret, Miguel Julve|2015|Chem.-Eur.J.|21|5429|doi:10.1002/chem.201406088
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/cc13kbbb
title: CCDC 1029551: Experimental Crystal Structure Determination

description: Related Article: Mahpuzah Abai, Martin P. Atkins, Amiruddin Hassan, John D. Holbrey, Yongcheun Kuah, Peter Nockemann, Alexander A. Oliferenko, Natalia V. Plechkova, Syamzari Rafeen, Adam A. Rahman, Rafin Ramli, Shahidah M. Shariff, Kenneth R. Seddon, Geetha Srinivasan, Yiran Zou|2015|Dalton Trans.|44|8617|doi:10.1039/C4DT03273J
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/cc13kcz0
title: CCDC 1029602: Experimental Crystal Structure Determination

description: Related Article: Fei Yuan, Ran An, Huai-Ming Hu, Sa-Sa Shen, Xiaofang Wang, Meng-Lin Yang, Ganglin Xue|2015|Inorg.Chem.Commun.|56|1|doi:10.1016/j.inoche.2015.03.031
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/cc13kd02
title: CCDC 1029603: Experimental Crystal Structure Determination

description: Related Article: Fei Yuan, Ran An, Huai-Ming Hu, Sa-Sa Shen, Xiaofang Wang, Meng-Lin Yang, Ganglin Xue|2015|Inorg.Chem.Commun.|56|1|doi:10.1016/j.inoche.2015.03.031
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/cc13k5qk
title: CCDC 1029408: Experimental Crystal Structure Determination

description: Related Article: Bo Gao, Dehai Zhao, Xiang Li, Yuan Cui, Ranlong Duan, Xuan Pang|2014|RSC Advances|5|440|doi:10.1039/C4RA12548G
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.cc12k3vl
title: CCDC 999559: Experimental Crystal Structure Determination

description: Related Article: Nagula Chandramouli, Yann Ferrand, Guillaume Lautrette, Brice Kauffmann, Cameron David Mackereth, Michel Laguerre, Didier Dubreuil, Ivan Huc|2015|Nature Chemistry|7|334|doi:10.1038/nchem.2195
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.