cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.7460285
title: Pharmulator™ Module: Quantifying Functional Groups and Its Applications in Drug Design

description: <strong>MS-Excel-1.xlsx:</strong> It contains SMILES codes of the training and test sets along with their GHS classification <strong>MS-Excel-2.xlsx: </strong>It contains<strong> </strong>SMILES codes of the 8993 chemicals and their experimental aqueous solubility parameters and FGs, Morgan and MACCS-based structural descriptor values <strong>MS-Excel-3.xlsx: </strong>It contains the DrugBank IDs, SMILES codes and number of FG occurrences (binary string) of the 2356 drug molecules <strong>MS-Excel-4.xlsx:</strong> It contains SMILES codes as well as FGs descriptors for the entire training sets, balanced training sets and final test sets <strong>MS-Excel-5.xlsx:</strong> It contains SMILES codes as well as Morgan descriptors for the entire training sets, balanced training sets and final test sets <strong>MS-Excel-6.xlsx:</strong> It contains SMILES codes as well as MACCS descriptors for the entire training sets, balanced training sets and final test sets
DOI: 10.5281/zenodo.7460284
title: Pharmulator™ Module: Quantifying Functional Groups and Its Applications in Drug Design

description: <strong>MS-Excel-1.xlsx:</strong> It contains SMILES codes of the training and test sets along with their GHS classification <strong>MS-Excel-2.xlsx: </strong>It contains<strong> </strong>SMILES codes of the 8993 chemicals and their experimental aqueous solubility parameters and FGs, Morgan and MACCS-based structural descriptor values <strong>MS-Excel-3.xlsx: </strong>It contains the DrugBank IDs, SMILES codes and number of FG occurrences (binary string) of the 2356 drug molecules <strong>MS-Excel-4.xlsx:</strong> It contains SMILES codes as well as FGs descriptors for the entire training sets, balanced training sets and final test sets <strong>MS-Excel-5.xlsx:</strong> It contains SMILES codes as well as Morgan descriptors for the entire training sets, balanced training sets and final test sets <strong>MS-Excel-6.xlsx:</strong> It contains SMILES codes as well as MACCS descriptors for the entire training sets, balanced training sets and final test sets
DOI: 10.5517/ccdc.csd.cc1pbthb
title: CCDC 1559532: Experimental Crystal Structure Determination

description: Related Article: Yelizaveta Gorbunova, Dmitriy N. Zakusilo, Aleksander V. Vasilyev|2019|Tetrahedron Lett.|60|961|doi:10.1016/j.tetlet.2019.02.047
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.cc1pszgx
title: CSD 1573140: Experimental Crystal Structure Determination

description: Related Article: E.V. Selezneva, I.P. Makarova, I.A. Malyshkina, N.D. Gavrilova, V.V. Grebenev, V.K. Novik, V.A. Komornikov|2017|Acta Crystallogr.,Sect.B:Struct.Sci.,Cryst.Eng. and Mat.|73|1105|doi:10.1107/S2052520617012847
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.57770/znkexz
title: Lattice anchoring stabilizes solution-processed semiconductors

description: supporting information
DOI: 10.5281/zenodo.7460386
title: Raw data of bamboo invasion alters Collembola community composition varying with life-forms

description: Sequencing data of soil Collembola
DOI: 10.5281/zenodo.7460385
title: Raw data of bamboo invasion alters Collembola community composition varying with life-forms

description: Sequencing data of soil Collembola
DOI: 10.34740/kaggle/ds/2744937
title: Surgical Scene Segmentation in Robotic Gastrectomy
DOI: 10.3886/e112472v1-131404
title: Replication data for: The Effect of Newspaper Entry and Exit on Electoral Politics

description: We use new data on entries and exits of US daily newspapers from 1869 to 2004 to estimate effects on political participation, party vote shares, and electoral competitiveness. Our identification strategy exploits the precise timing of these events and allows for the possibility of confounding trends. We focus our analysis on the years 1869-1928, and we use the remaining years of data to look at changes over time. We find that newspapers have a robust positive effect on political participation, with one additional newspaper increasing both presidential and congressional turnout by approximately 0.3 percentage points. Newspaper competition is not a key driver of turnout: our effect is driven mainly by the first newspaper in a market, and the effect of a second or third paper is significantly smaller. The effect on presidential turnout diminishes after the introduction of radio and television, while the estimated effect on congressional turnout remains similar up to recent years. We find no evidence that partisan newspapers affect party vote shares, with confidence intervals that rule out even moderate-sized effects. We find no clear evidence that newspapers systematically help or hurt incumbents. (JEL D72, L11, L82, N41, N42, N81, N82)
DOI: 10.5439/1897918
title: ARM Aerial Facility (AAF) Merged cloud size distribution

description: ARM Aerial Facility (AAF) Merged cloud size distribution
DOI: 10.6084/m9.figshare.21753545.v1
title: Discretized MNIST for Digital Circuits and Neural Networks Based on Acid-Base Chemistry Implemented by Dual-Rail Encoding and Robotic Fluid Handling

description: A discretized version (binary & 3-bit) version of the MNIST dataset for Nature Communications paper " Digital Circuits and Neural Networks Based on Acid-Base Chemistry Implemented by Dual-Rail Encoding and Robotic Fluid Handling "
DOI: 10.6084/m9.figshare.21754328
title: WRFexpts-LinearTheory-outputs

description: WRFexpts-LinearTheory-outputs
DOI: 10.6084/m9.figshare.21754358
title: Deep venous thrombosis following placement of temporary hemodialysis catheters in patients with chronic kidney disease

description: Background The prevalence of chronic kidney disease (CKD) is high in India, with 50% of patients presenting with stage 5 CKD and undergoing hemodialysis primarily via central venous catheters (CVCs). Catheter occlusion may occur due to mechanical twisting, thrombosis, or drug use. The CKD spectrum is a risk for catheter-related thrombosis (CRT). Deep venous thrombosis (DVT) is less often studied in CKD with CVCs. We aimed to determine the incidence rates of DVT (limb extremity and deep thoracic veins) and their contributing factors. Materials and methods The study was prospective and observational for three years in a tertiary care government teaching hospital. Patients with ESRD and temporary hemodialysis catheters (HDCs) placed for maintenance hemodialysis (on an emergency basis or until the maturation of arteriovenous fistula [AVF]) were followed up for three months. Those already undergoing hemodialysis elsewhere, either through HDC or AVF, were excluded. Incidence rates of DVT per 1000 catheter-days were calculated. Results The mean age was 46.6±13.47 years;190/278 were males. A total of 140 patients had CKD for &lt; 6 months. A total of 103 patients had at least one risk factor for DVT. 24/278 (8.6%) developed DVT giving an incidence rate of 0.95/1000 catheter days. A median of 7 sessions of hemodialysis and a mean of 19.8±6.4 days before the development of DVT was seen. The odds ratio for developing DVT for right IJV, left IJV, right femoral, and left femoral were 0.2, 5.0, 1.1, and 4.3, respectively. Thirty-one developed catheter-related blood stream infection (CRBSI); six had both coexisting DVT and CRBSI. Conclusion The incidence of DVT was low. Patients with CKD need diagnosis and planning for hemodialysis earlier. Screening patients with HDCs may enable quicker diagnosis of DVT since many are asymptomatic.
DOI: 10.6084/m9.figshare.21754358.v1
title: Deep venous thrombosis following placement of temporary hemodialysis catheters in patients with chronic kidney disease

description: Background The prevalence of chronic kidney disease (CKD) is high in India, with 50% of patients presenting with stage 5 CKD and undergoing hemodialysis primarily via central venous catheters (CVCs). Catheter occlusion may occur due to mechanical twisting, thrombosis, or drug use. The CKD spectrum is a risk for catheter-related thrombosis (CRT). Deep venous thrombosis (DVT) is less often studied in CKD with CVCs. We aimed to determine the incidence rates of DVT (limb extremity and deep thoracic veins) and their contributing factors. Materials and methods The study was prospective and observational for three years in a tertiary care government teaching hospital. Patients with ESRD and temporary hemodialysis catheters (HDCs) placed for maintenance hemodialysis (on an emergency basis or until the maturation of arteriovenous fistula [AVF]) were followed up for three months. Those already undergoing hemodialysis elsewhere, either through HDC or AVF, were excluded. Incidence rates of DVT per 1000 catheter-days were calculated. Results The mean age was 46.6±13.47 years;190/278 were males. A total of 140 patients had CKD for &lt; 6 months. A total of 103 patients had at least one risk factor for DVT. 24/278 (8.6%) developed DVT giving an incidence rate of 0.95/1000 catheter days. A median of 7 sessions of hemodialysis and a mean of 19.8±6.4 days before the development of DVT was seen. The odds ratio for developing DVT for right IJV, left IJV, right femoral, and left femoral were 0.2, 5.0, 1.1, and 4.3, respectively. Thirty-one developed catheter-related blood stream infection (CRBSI); six had both coexisting DVT and CRBSI. Conclusion The incidence of DVT was low. Patients with CKD need diagnosis and planning for hemodialysis earlier. Screening patients with HDCs may enable quicker diagnosis of DVT since many are asymptomatic.
DOI: 10.5517/ccdc.csd.cc1pnq24
title: CCDC 1569036: Experimental Crystal Structure Determination

description: Related Article: Qing-Pu Zhang, Zhen Wang, Zhe-Wen Zhang, Tian-Long Zhai, Jing-Jing Chen, Hui Ma, Bien Tan, Chun Zhang|2021|Angew.Chem.,Int.Ed.|60|12781|doi:10.1002/anie.202102350
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: 10.25505/fiz.icsd.cc20cxkw
title: CSD 1858498: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxmy
title: CSD 1858500: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxlx
title: CSD 1858499: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxnz
title: CSD 1858501: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxp0
title: CSD 1858502: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxq1
title: CSD 1858503: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxr2
title: CSD 1858504: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxs3
title: CSD 1858505: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxt4
title: CSD 1858506: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxv5
title: CSD 1858507: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxw6
title: CSD 1858508: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxx7
title: CSD 1858509: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cxy8
title: CSD 1858510: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.5517/ccdc.csd.cc20cxz9
title: CSD 1858511: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cy0c
title: CSD 1858512: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cy1d
title: CSD 1858513: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cy2f
title: CSD 1858514: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
DOI: 10.25505/fiz.icsd.cc20cy3g
title: CSD 1858515: Experimental Crystal Structure Determination

description: Related Article: Bo Cai, Xi Chen, Meiqiu Xie, Shengli Zhang, Xuhai Liu, Jinlong Yang, Wenhan Zhou, Shiying Guo, Haibo Zeng|2018|Materials Horizons|5|961|doi:10.1039/C8MH00590G
description: An entry from the Inorganic Crystal Structure Database, the world’s repository for inorganic crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the joint CCDC and FIZ Karlsruhe Access Structures service and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.