cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5517/ccdc.csd.cc1lf7v3
title: CCDC 1472495: Experimental Crystal Structure Determination

description: Related Article: Matam Sivakumar, Kaliyan Prabakaran, Muthu Seenivasa Perumal|2018|Synth.Commun.|48|197|doi:10.1080/00397911.2017.1393688
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.cc1kpx9g
title: CCDC 1451026: Experimental Crystal Structure Determination

description: Related Article: Dai Zeng, Min Ren, Song-Song Bao, Zhong-Sheng Cai, Chang Xu, and Li-Min Zheng|2016|Inorg.Chem.|55|5297|doi:10.1021/acs.inorgchem.6b00280
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.cc1lf7w4
title: CCDC 1472496: Experimental Crystal Structure Determination

description: Related Article: Zhi Lin, Cheng Li, Dong Meng, Yan Li, and Zhaohui Wang|2016|Chem.Asian J.|11|2695|doi:10.1002/asia.201600490
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.cc1kpxbh
title: CCDC 1451027: Experimental Crystal Structure Determination

description: Related Article: Dai Zeng, Min Ren, Song-Song Bao, Zhong-Sheng Cai, Chang Xu, and Li-Min Zheng|2016|Inorg.Chem.|55|5297|doi:10.1021/acs.inorgchem.6b00280
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.cc1kpxcj
title: CCDC 1451028: Experimental Crystal Structure Determination

description: Related Article: Dai Zeng, Min Ren, Song-Song Bao, Zhong-Sheng Cai, Chang Xu, and Li-Min Zheng|2016|Inorg.Chem.|55|5297|doi:10.1021/acs.inorgchem.6b00280
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.cc1kpxdk
title: CCDC 1451029: Experimental Crystal Structure Determination

description: Related Article: Dai Zeng, Min Ren, Song-Song Bao, Zhong-Sheng Cai, Chang Xu, and Li-Min Zheng|2016|Inorg.Chem.|55|5297|doi:10.1021/acs.inorgchem.6b00280
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.cc1kpxfl
title: CCDC 1451030: Experimental Crystal Structure Determination

description: Related Article: Dai Zeng, Min Ren, Song-Song Bao, Zhong-Sheng Cai, Chang Xu, and Li-Min Zheng|2016|Inorg.Chem.|55|5297|doi:10.1021/acs.inorgchem.6b00280
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.cc1kpxgm
title: CCDC 1451031: Experimental Crystal Structure Determination

description: Related Article: Dai Zeng, Min Ren, Song-Song Bao, Zhong-Sheng Cai, Chang Xu, and Li-Min Zheng|2016|Inorg.Chem.|55|5297|doi:10.1021/acs.inorgchem.6b00280
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.cc1kpxhn
title: CCDC 1451032: Experimental Crystal Structure Determination

description: Related Article: Dai Zeng, Min Ren, Song-Song Bao, Zhong-Sheng Cai, Chang Xu, and Li-Min Zheng|2016|Inorg.Chem.|55|5297|doi:10.1021/acs.inorgchem.6b00280
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.cc1kpxjp
title: CCDC 1451033: Experimental Crystal Structure Determination

description: Related Article: Dai Zeng, Min Ren, Song-Song Bao, Zhong-Sheng Cai, Chang Xu, and Li-Min Zheng|2016|Inorg.Chem.|55|5297|doi:10.1021/acs.inorgchem.6b00280
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.cc1lf7y6
title: CCDC 1472498: Experimental Crystal Structure Determination

description: Related Article: Mario Bakardjiev, Bohumil Štíbr, Josef Holub, Oleg L. Tok, Petr Švec, Zdeňka Růžičková, and Aleš Růžička|2016|Inorg.Chem.|55|7068|doi:10.1021/acs.inorgchem.6b00964
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.cc1lf7z7
title: CCDC 1472499: Experimental Crystal Structure Determination

description: Related Article: Mario Bakardjiev, Bohumil Štíbr, Josef Holub, Oleg L. Tok, Petr Švec, Zdeňka Růžičková, and Aleš Růžička|2016|Inorg.Chem.|55|7068|doi:10.1021/acs.inorgchem.6b00964
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.cc1lf809
title: CCDC 1472500: Experimental Crystal Structure Determination

description: Related Article: Mario Bakardjiev, Bohumil Štíbr, Josef Holub, Oleg L. Tok, Petr Švec, Zdeňka Růžičková, and Aleš Růžička|2016|Inorg.Chem.|55|7068|doi:10.1021/acs.inorgchem.6b00964
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.cc1lf81b
title: CCDC 1472501: Experimental Crystal Structure Determination

description: Related Article: Mario Bakardjiev, Bohumil Štíbr, Josef Holub, Oleg L. Tok, Petr Švec, Zdeňka Růžičková, and Aleš Růžička|2016|Inorg.Chem.|55|7068|doi:10.1021/acs.inorgchem.6b00964
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.cc1lf82c
title: CCDC 1472502: Experimental Crystal Structure Determination

description: Related Article: Shi-Jun Chen, Lei Li, Bao-Wei Liu, Ke-Zhi Ji, Xiao-Dong Xia, Kai Mu, Wei Liu|2016|Z.Kristallogr.-New Cryst.Struct.|231|863|doi:10.1515/ncrs-2015-0296
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.cc1lf83d
title: CCDC 1472503: Experimental Crystal Structure Determination

description: Related Article: Tile Gieshoff, Dieter Schollmeyer, Siegfried R. Waldvogel|2016|Angew.Chem.,Int.Ed.|55|9437|doi:10.1002/anie.201603899
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.cc1lf84f
title: CCDC 1472504: Experimental Crystal Structure Determination

description: Related Article: Tile Gieshoff, Dieter Schollmeyer, Siegfried R. Waldvogel|2016|Angew.Chem.,Int.Ed.|55|9437|doi:10.1002/anie.201603899
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.cc1lf85g
title: CCDC 1472505: Experimental Crystal Structure Determination

description: Related Article: Tile Gieshoff, Dieter Schollmeyer, Siegfried R. Waldvogel|2016|Angew.Chem.,Int.Ed.|55|9437|doi:10.1002/anie.201603899
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.cc1lf86h
title: CCDC 1472506: Experimental Crystal Structure Determination

description: Related Article: Tile Gieshoff, Dieter Schollmeyer, Siegfried R. Waldvogel|2016|Angew.Chem.,Int.Ed.|55|9437|doi:10.1002/anie.201603899
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.cc1lf87j
title: CCDC 1472507: Experimental Crystal Structure Determination

description: Related Article: O. Prajina, P. Thomas Muthiah, F. Perdih|2016|Acta Crystallogr.,Sect.E:Cryst.Commun.|72|659|doi:10.1107/S2056989016005685
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.cc1lf88k
title: CCDC 1472508: Experimental Crystal Structure Determination

description: Related Article: D. Varna, G. Psomas, T. Choli-Papadopoulou, R. Papi, A. G. Hatzidimitriou, P. Aslanidis|2016|J.Coord.Chem.|69|2500|doi:10.1080/00958972.2016.1206893
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.cc1lf89l
title: CCDC 1472509: Experimental Crystal Structure Determination

description: Related Article: D. Varna, G. Psomas, T. Choli-Papadopoulou, R. Papi, A. G. Hatzidimitriou, P. Aslanidis|2016|J.Coord.Chem.|69|2500|doi:10.1080/00958972.2016.1206893
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.cc1lf8bm
title: CCDC 1472510: Experimental Crystal Structure Determination

description: Related Article: D. Varna, G. Psomas, T. Choli-Papadopoulou, R. Papi, A. G. Hatzidimitriou, P. Aslanidis|2016|J.Coord.Chem.|69|2500|doi:10.1080/00958972.2016.1206893
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.17418634
title: Different Form, Same Behavior: Combining LLMs and Deterministic Validation for Type-IV Clone Generation (replication package)

description: GeneratorPipeline.zip - contains the replication package for the empirical evaluation. Make sure to read the Readme.md inside the GeneratorPipeline folder for instructions. The experiment results are in GeneratorPipeline/results

Prompts  - prompts are inside GeneratorPipeline/pipeline/src/utils/prompts.py

kamino_clones_dataset.zip - the final dataset, split into training and testing
DOI: 10.5281/zenodo.17418635
title: Different Form, Same Behavior: Combining LLMs and Deterministic Validation for Type-IV Clone Generation (replication package)

description: GeneratorPipeline.zip - contains the replication package for the empirical evaluation. Make sure to read the Readme.md inside the GeneratorPipeline folder for instructions. The experiment results are in GeneratorPipeline/results

Prompts  - prompts are inside GeneratorPipeline/pipeline/src/utils/prompts.py

kamino_clones_dataset.zip - the final dataset, split into training and testing
DOI: 10.5517/ccdc.csd.cc1lf8cn
title: CCDC 1472511: Experimental Crystal Structure Determination

description: Related Article: Takeshi Kawasaki, Takafumi Kitazawa|2016|Crystals|6|103|doi:10.3390/cryst6090103
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.cc1khl7w
title: CCDC 1444948: Experimental Crystal Structure Determination

description: Related Article: Fa-Xue Ma, Dan Zhao, Rui-Juan Yang, Min Huang|2016|Z.Kristallogr.-New Cryst.Struct.|231|897|doi:10.1515/ncrs-2015-0310
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.cc1lf8hs
title: CCDC 1472515: Experimental Crystal Structure Determination

description: Related Article: Biing-Chiau Tzeng, TamilSelviSelvam,Miao-HsinTsai|2016|J.Solid State Chem.|243|70|doi:10.1016/j.jssc.2016.08.011
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.cc1lf8jt
title: CCDC 1472516: Experimental Crystal Structure Determination

description: Related Article: Biing-Chiau Tzeng, TamilSelviSelvam,Miao-HsinTsai|2016|J.Solid State Chem.|243|70|doi:10.1016/j.jssc.2016.08.011
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.cc1lf8kv
title: CCDC 1472517: Experimental Crystal Structure Determination

description: Related Article: Biing-Chiau Tzeng, TamilSelviSelvam,Miao-HsinTsai|2016|J.Solid State Chem.|243|70|doi:10.1016/j.jssc.2016.08.011
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.cc1lf8lw
title: CCDC 1472518: Experimental Crystal Structure Determination

description: Related Article: Biing-Chiau Tzeng, TamilSelviSelvam,Miao-HsinTsai|2016|J.Solid State Chem.|243|70|doi:10.1016/j.jssc.2016.08.011
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.cc1lf8mx
title: CCDC 1472519: Experimental Crystal Structure Determination

description: Related Article: Biing-Chiau Tzeng, TamilSelviSelvam,Miao-HsinTsai|2016|J.Solid State Chem.|243|70|doi:10.1016/j.jssc.2016.08.011
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.cc1lf8ny
title: CCDC 1472520: Experimental Crystal Structure Determination

description: Related Article: Biing-Chiau Tzeng, TamilSelviSelvam,Miao-HsinTsai|2016|J.Solid State Chem.|243|70|doi:10.1016/j.jssc.2016.08.011
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.cc1lf8pz
title: CCDC 1472521: Experimental Crystal Structure Determination

description: Related Article: Biing-Chiau Tzeng, TamilSelviSelvam,Miao-HsinTsai|2016|J.Solid State Chem.|243|70|doi:10.1016/j.jssc.2016.08.011
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.cc1j1tlz
title: CCDC 1401931: Experimental Crystal Structure Determination

description: Related Article: Yao Qian, Zhiyue Han, Yinghao Zhang, Zhiming Du, Yan Zhao, Yuezhen Yang and Jingchang Zhang|2016|J.Heterocycl.Chem.|53|651|doi:10.1002/jhet.2579
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.cc1lf8x6
title: CCDC 1472528: Experimental Crystal Structure Determination

description: Related Article: Xiao-Fang Wang, Ying Pan, Zhan Li, Xiu Li, Shi-Lun Qiu, Ming Xue|2017|Polyhedron|122|55|doi:10.1016/j.poly.2016.10.041
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.cc1lf8y7
title: CCDC 1472529: Experimental Crystal Structure Determination

description: Related Article: Xiao-Fang Wang, Ying Pan, Zhan Li, Xiu Li, Shi-Lun Qiu, Ming Xue|2017|Polyhedron|122|55|doi:10.1016/j.poly.2016.10.041
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.cc1lf8z8
title: CCDC 1472530: Experimental Crystal Structure Determination

description: Related Article: Xiao-Fang Wang, Ying Pan, Zhan Li, Xiu Li, Shi-Lun Qiu, Ming Xue|2017|Polyhedron|122|55|doi:10.1016/j.poly.2016.10.041
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.