cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.g4gkyw
title: Occurrence Download

description: A dataset containing 13 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Phyllanthus irriguus Radcl.-Sm."
 ]
}

 The dataset includes 13 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0077098-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hk9sh5
title: Occurrence Download

description: A dataset containing 265 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((0.67566 42.56653,0.46692 42.20398,0.74158 41.96228,1.04919 42.3468,0.67566 42.56653))",
 "HasCoordinate is true",
 "TaxonKey is Borderea chouardii (Gaussen) Gaussen & Heslot",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 265 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0040568-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-64209
title: Redemption tidings, vol. 44, nos. 1-52, 4 Jan. - 26 Dec. 1968

description: [description english/roman)] Issued weekly.
DOI: 10.15468/dl.k7sfj7
title: Occurrence Download

description: A dataset containing 323 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Sierra Leone",
 "InstitutionCode is K",
 "OccurrenceStatus is Present",
 "Year 1964-1967"
 ]
}

 The dataset includes 323 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0096102-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xgbex8
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Forcipiger wanai Allen, Erdmann & Jones Sbrocco, 2012"
 ]
}

 The dataset includes 2 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0071853-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-64207
title: Redemption tidings, vol. 44, nos. 1-52, 4 Jan. - 26 Dec. 1968

description: [description english/roman)] Issued weekly.
DOI: 10.15468/dl.5yhjea
title: Occurrence Download

description: A dataset containing 313 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Callionymus filamentosus Valenciennes, 1837"
 ]
}

 The dataset includes 313 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0079253-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-64216
title: Redemption tidings, vol. 44, nos. 1-52, 4 Jan. - 26 Dec. 1968

description: [description english/roman)] Issued weekly.
DOI: 10.15468/dl.9u2vth
title: Occurrence Download

description: A dataset containing 714 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Botryotinia fuckeliana (de Bary) Whetzel",
 {
 "not" : {
 "Country" : [
 "is United States of America"
 ]
 }
 },
 {
 "not" : {
 "Country" : [
 "is Canada"
 ]
 }
 },
 {
 "not" : {
 "DatasetKey" : [
 "is Global database of alien macrofungi"
 ]
 }
 }
 ]
}

 The dataset includes 714 records from 50 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0103057-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wd2gpr
title: Occurrence Download

description: A dataset containing 80359 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Carcinus maenas (Linnaeus, 1758)"
 ]
}

 The dataset includes 80359 records from 284 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0097993-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vkevws
title: Occurrence Download

description: A dataset containing 1808 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Belonesox belizanus Kner, 1860"
 ]
}

 The dataset includes 1808 records from 58 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0079256-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-64436
title: Redemption tidings, vol. 44, nos. 1-52, 4 Jan. - 26 Dec. 1968

description: [description english/roman)] Issued weekly.
DOI: 10.15468/dl.czu9uq
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "VerbatimScientificName is Eclectus polychloros",
 "BasisOfRecord is one of (Machine Observation, Human Observation)",
 "Year 2011-2021",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen, Specimen, Material citation, Material sample)"
 ]
 }
 }
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090581-230530130749713/datasets/export for details.
DOI: 10.15468/dl.5v5xqd
title: Occurrence Download

description: A dataset containing 130224 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON ((-71.2603687999999948 42.3404937000000032, -71.2603687999999948 42.3473655100000030, -71.2603687999999948 42.3514261300000001, -71.2603687999999948 42.3570485199999993, -71.2603687999999948 42.3639203299999991, -71.2603687999999948 42.3717291999999972, -71.2534881100000064 42.3717291999999972, -71.2462942100000021 42.3717291999999972, -71.2391003200000057 42.3717291999999972, -71.2337830900000029 42.3717291999999972, -71.2281530900000064 42.3717291999999972, -71.2234614200000067 42.3717291999999972, -71.2172058600000071 42.3717291999999972, -71.2115758599999964 42.3717291999999972, -71.2062586299999936 42.3717291999999972, -71.1993775199999988 42.3717291999999972, -71.1949986200000069 42.3717291999999972, -71.1878047299999963 42.3717291999999972, -71.1818619499999983 42.3717291999999972, -71.1743557000000067 42.3717291999999972, -71.1743557000000067 42.3676685800000001, -71.1743557000000067 42.3620462000000018, -71.1743557000000067 42.3576732300000032, -71.1743557000000067 42.3501767099999995, -71.1743557000000067 42.3448666700000018, -71.1743557000000067 42.3404937000000032, -71.1824874999999935 42.3404937000000032, -71.1912452899999977 42.3404937000000032, -71.1975008499999973 42.3404937000000032, -71.2059458500000062 42.3404937000000032, -71.2112630799999948 42.3404937000000032, -71.2190825299999943 42.3404937000000032, -71.2237741999999940 42.3404937000000032, -71.2287786499999953 42.3404937000000032, -71.2356597600000043 42.3404937000000032, -71.2444175499999943 42.3404937000000032, -71.2503603300000066 42.3404937000000032, -71.2559903300000030 42.3404937000000032, -71.2603687999999948 42.3404937000000032))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1932",
 "BasisOfRecord is one of (Human Observation, Living Specimen, Observation, Specimen, Machine Observation)"
 ]
}

 The dataset includes 130224 records from 24 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0098001-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jqgety
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "VerbatimScientificName is Dyaphorophyia hormophora",
 "BasisOfRecord is one of (Machine Observation, Human Observation)",
 "Year 2011-2021",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen, Specimen, Material citation, Material sample)"
 ]
 }
 }
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090573-230530130749713/datasets/export for details.
DOI: 10.25549/pcra-c14-64424
title: Redemption tidings, vol. 44, nos. 1-52, 4 Jan. - 26 Dec. 1968

description: [description english/roman)] Issued weekly.
DOI: 10.5281/zenodo.8245086
title: A large comprehensive curated dataset of small molecules and their activities covering three cardiac ion channels: hERG, Cav1.2, and Nav1.5

description: The compressed folder "raw.rar" is a dataset that presents a framework for researchers in the field of drug discovery to perform further analyses on a very large open-access unique and comprehensive hERG, Nav1.5, and Cav1.2 cardiotoxicity integrated database of small molecules and their activities. The database is organized as follows:

Each sub-folder represents a cardiac ion channel target: hERG, Nav1.5, and Cav1.2
Each target sub-folder consists of 3 files in CSV format: One file containing the development set (split into training and validation sets using an 80/20 ratio for hyperparameter tuning). The other 2 files contain external evaluation sets. The first test dataset consists of compounds with a structural similarity of no more than 60% (Tanimoto similarity  ≤ 0.6) to the remaining development set, while the second test dataset comprises compounds with a structural similarity of no more than 70% (Tanimoto similarity ≤ 0.7) to the remaining development set.
Each file contains data with 7 columns: "InChl Key" as a unique identifier of the chemical structure, "SMILES" as the string format of storage and exchange of the chemical structure, "Source" as the upstream data source from which the data was retrieved, "ChEMBL ID" as the ChEMBL identifier if the compound comes from ChEMBL database, "PubChem CID" as the PubChem compound identifier if the compound comes from PubChem database, "pIC50" as the negative logarithm of the half-maximal inhibitory concentration (IC50) to describe the potency of the compound, and "USED_AS" column specifying whether the compound was used for training or validation.
Refer to this link for the manuscript: https://pubs.acs.org/doi/10.1021/acs.jcim.3c01301
DOI: 10.15468/dl.d6kfmw
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "VerbatimScientificName is Entomyzon albipennis",
 "BasisOfRecord is one of (Machine Observation, Human Observation)",
 "Year 2011-2021",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen, Specimen, Material citation, Material sample)"
 ]
 }
 }
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090598-230530130749713/datasets/export for details.
DOI: 10.15468/dl.waqgzr
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hippocampus fuscus Rüppell, 1838"
 ]
}

 The dataset includes 32 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0079365-200221144449610/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.8229657
title: A large comprehensive curated dataset of small molecules covering three cardiac ion channels: hERG, Cav1.2, and Nav1.5

description: The compressed folder "raw.rar" is a dataset that presents a framework for researchers in the field of drug discovery to perform further analyses on a very large open-access unique and comprehensive hERG, Nav1.5, and Cav1.2 cardiotoxicity integrated database of small molecules and their activities. The database is organized as follows: Each sub-folder represents a cardiac ion channel target (hERG, Nav1.5, and Cav1.2) Each target sub-folder consists of 3 files in CSV format: One file containing the development set (should be split into training and validation sets using a desired ratio for hyperparameter tuning). The other 2 files contain external evaluation sets. The first test dataset consists of compounds with a structural similarity of no more than 60% (Tanimoto similarity ≤ 0.6) to the remaining development set, while the second test dataset comprises compounds with a structural similarity of no more than 70% (Tanimoto similarity ≤ 0.7) to the remaining development set. Each file contains data with 4 columns: "InChl Key" as a unique identifier of the chemical structure, "SMILES" as the string format of storage and exchange of the chemical structure, "Source" as the upstream data source from which the data was retrieved, and "pIC50" as the negative logarithm of the half-maximal inhibitory concentration (IC50) to describe the potency of the compound.
DOI: 10.25549/pcra-c14-64614
title: Redemption tidings, vol. 45, nos. 1-52, 2 Jan. - 25 Dec. 1969

description: [description english/roman)] Issued weekly.
DOI: 10.15468/dl.2hf5hh
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Roxania monterosatoi Dautzenberg & H.Fischer, 1896"
 ]
}

 The dataset includes 2 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0098003-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.a5qhsw
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "VerbatimScientificName is Estrilda thomensis",
 "BasisOfRecord is one of (Machine Observation, Human Observation)",
 "Year 2011-2021",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen, Specimen, Material citation, Material sample)"
 ]
 }
 }
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090608-230530130749713/datasets/export for details.
DOI: 10.5281/zenodo.8229536
title: A large comprehensive curated dataset of small molecules covering three cardiac ion channels: hERG, Cav1.2, and Nav1.5

description: The compressed folder "raw.rar" is a dataset that presents a framework for researchers in the field of drug discovery to perform further analyses on a very large open-access unique and comprehensive hERG, Nav1.5, and Cav1.2 cardiotoxicity integrated database of small molecules and their activities. The database is organized as follows: Each sub-folder represents a cardiac ion channel target (hERG, Nav1.5, and Cav1.2) Each target sub-folder consists of 3 files in CSV format: One file containing the development set (should be split into training and validation sets using a desired ratio for hyperparameter tuning). The other 2 files contain external evaluation sets. The first test dataset consists of compounds with a structural similarity of no more than 60% (Tanimoto similarity ≤ 0.6) to the remaining development set, while the second test dataset comprises compounds with a structural similarity of no more than 70% (Tanimoto similarity ≤ 0.7) to the remaining development set. Each file contains data with 4 columns: "InChl Key" as a unique identifier of the chemical structure, "SMILES" as the string format of storage and exchange of the chemical structure, "Source" as the upstream data source from which the data was retrieved, and "pIC50" as the negative logarithm of the half-maximal inhibitory concentration (IC50) to describe the potency of the compound.
DOI: 10.15468/dl.ojy5yc
title: Occurrence Download

description: A dataset containing 157 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Jikradia olitorius Say, 1830"
 ]
}

 The dataset includes 157 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002707-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-64636
title: Redemption tidings, vol. 45, nos. 1-52, 2 Jan. - 25 Dec. 1969

description: [description english/roman)] Issued weekly.
DOI: 10.5281/zenodo.8229535
title: A large comprehensive curated dataset of small molecules and their activities covering three cardiac ion channels: hERG, Cav1.2, and Nav1.5

description: The compressed data folder (dataset.rar) represents a data framework for researchers in the field of drug discovery to perform in depth analyses on a very large open-access unique and comprehensive hERG, Nav1.5, and Cav1.2 cardiotoxicity integrated database of small molecules and their activities. The database is organized as follows:



Each sub-folder represents a cardiac ion channel target: hERG, Nav1.5, and Cav1.2

Each target sub-folder consists of 3 files in CSV format: One file containing the development set (split into training and validation sets using an 80/20 ratio for hyperparameter tuning). The other 2 files contain external evaluation sets. The first test dataset consists of compounds with a structural similarity of no more than 60% (Tanimoto similarity  ≤ 0.6) to the remaining development set, while the second test dataset comprises compounds with a structural similarity of no more than 70% (Tanimoto similarity ≤ 0.7) to the remaining development set.

Each file contains data with 7 columns: "InChl Key" as a unique identifier of the chemical structure, "SMILES" as the string format of storage and exchange of the chemical structure, "Source" as the upstream data source from which the data was retrieved, "ChEMBL ID" as the ChEMBL identifier if the compound comes from ChEMBL database, "PubChem CID" as the PubChem compound identifier if the compound comes from PubChem database, "pIC50" as the negative logarithm of the half-maximal inhibitory concentration (IC50) to describe the potency of the compound, and "USED_AS" column specifying whether the compound was used for training or validation.


Upon usage, please cite this publication:



Issar Arab, Kristof Egghe, Kris Laukens, Ke Chen, Khaled Barakat, Wout Bittremieux, Benchmarking of Small Molecule Feature Representations for hERG, Nav1.5, and Cav1.2 Cardiotoxicity Prediction, Journal of Chemical Information and Modeling, (2023). doi:10.1021/acs.jcim.3c01301
DOI: 10.5281/zenodo.8229664
title: A large comprehensive curated dataset of small molecules covering three cardiac ion channels: hERG, Cav1.2, and Nav1.5

description: The compressed folder "raw.rar" is a dataset that presents a framework for researchers in the field of drug discovery to perform further analyses on a very large open-access unique and comprehensive hERG, Nav1.5, and Cav1.2 cardiotoxicity integrated database of small molecules and their activities. The database is organized as follows: Each sub-folder represents a cardiac ion channel target (hERG, Nav1.5, and Cav1.2) Each target sub-folder consists of 3 files in CSV format: One file containing the development set (should be split into training and validation sets using a desired ratio for hyperparameter tuning). The other 2 files contain external evaluation sets. The first test dataset consists of compounds with a structural similarity of no more than 60% (Tanimoto similarity ≤ 0.6) to the remaining development set, while the second test dataset comprises compounds with a structural similarity of no more than 70% (Tanimoto similarity ≤ 0.7) to the remaining development set. Each file contains data with 4 columns: "InChl Key" as a unique identifier of the chemical structure, "SMILES" as the string format of storage and exchange of the chemical structure, "Source" as the upstream data source from which the data was retrieved, and "pIC50" as the negative logarithm of the half-maximal inhibitory concentration (IC50) to describe the potency of the compound.
DOI: 10.15468/dl.au9dyz
title: Occurrence Download

description: A dataset containing 11 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Gramma dejongi Victor & Randall, 2010"
 ]
}

 The dataset includes 11 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0071861-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n7bbgz
title: Occurrence Download

description: A dataset containing 30 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Polygala decidua S.F.Blake"
 ]
}

 The dataset includes 30 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0090616-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-64630
title: Redemption tidings, vol. 45, nos. 1-52, 2 Jan. - 25 Dec. 1969

description: [description english/roman)] Issued weekly.
DOI: 10.15468/dl.vsn1xn
title: Occurrence Download

description: A dataset containing 148838 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "TaxonKey is Amphibia",
 "TaxonKey is Aves",
 "TaxonKey is Insecta",
 "TaxonKey is Reptilia",
 "TaxonKey is Mammalia",
 "TaxonKey is Chilopoda",
 "TaxonKey is Diplopoda",
 "TaxonKey is Arachnida"
 ]
 },
 {
 "or" : [
 "BasisOfRecord is Human Observation",
 "BasisOfRecord is Observation",
 "BasisOfRecord is Machine Observation"
 ]
 },
 "HasCoordinate is true",
 "DecimalLongitude is greater than or equal to 140.000000",
 "DecimalLongitude is less than 145.000000",
 "DecimalLatitude is greater than or equal to -15.000000",
 "DecimalLatitude is less than -10.000000",
 "Year is greater than or equal to 2000",
 "Year is less than or equal to 2018"
 ]
}

 The dataset includes 148838 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002707-180730143533302/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-68648
title: Redemption tidings, vol. 48, nos. 1-52, 6 Jan. - 28 Dec. 1972

description: [description english/roman)] Issued weekly.
DOI: 10.15468/dl.595ac6
title: Occurrence Download

description: A dataset containing 4 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Eisothistos macquariensis Poore & Lew Ton, 2002"
 ]
}

 The dataset includes 4 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0118341-220831081235567/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xn7fw4
title: Occurrence Download

description: A dataset containing 82 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Phyllanthus betsileanus Leandri"
 ]
}

 The dataset includes 82 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0077103-230530130749713/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.25549/pcra-c14-68871
title: Redemption tidings, vol. 49, nos. 1-52, 4 Jan. - 27 Dec. 1973

description: [description english/roman)] Issued weekly.