cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.1594/pangaea.198127
title: Pigments measured at station CD47_0606C#6

description: Plymouth Marine Laboratory. Authorship was originally taken from the JGOFS CDs (Lowry & BODC) and was changed by request of the BODC.
DOI: 10.1594/pangaea.198265
title: Pigments measured at station DI182_CL1205891405

description: Queen's University Belfast School of Biological Science. Authorship was originally taken from the JGOFS CDs (Lowry & BODC) and was changed by request of the BODC.
DOI: 10.1594/pangaea.425296
title: Daily sea level from coastal tide gauge station Abidjan-Vridi in 1984 (Research quality database)
DOI: 10.1594/pangaea.809661
title: Basic measurements of radiation at station Sapporo (2013-01)
DOI: 10.1594/pangaea.425297
title: Daily sea level from coastal tide gauge station Abidjan-Vridi in 1985 (Research quality database)
DOI: 10.1594/pangaea.425323
title: Daily sea level from coastal tide gauge station Aburatsu in 1982 (Research quality database)
DOI: 10.1594/pangaea.196243
title: Physical oceanography from SeaSoar CTD DI192_TR03.1652

description: University of Southampton School of Ocean and Earth Science. Authorship was originally "BODC" and was changed by request of the BODC.
DOI: 10.1594/pangaea.196387
title: Physical oceanography from SeaSoar CTD DI192_TR06.2308

description: University of Southampton School of Ocean and Earth Science. Authorship was originally "BODC" and was changed by request of the BODC.
DOI: 10.1594/pangaea.943030
title: At surface behaviour at absolute time of Weddell seal FIL2021_wed_a_m_10 from expedition FIL2021
DOI: 10.5281/zenodo.10372418
title: ADMET-AI: A machine learning ADMET platform for evaluation of large-scale chemical libraries – Data and Models

description: This repository contains data and models used in the following paper.

 

Swanson, K., Walther, P., Leitz, J., Mukherjee, S., Wu, J. C., Shivnaraine, R. V., & Zou, J. ADMET-AI: A machine learning ADMET platform for evaluation of large-scale chemical libraries. In review.

 

The data and models are meant to be used with the ADMET-AI code, which runs the ADMET-AI web server at admet.ai.greenstonebio.com.

 

The data.zip file has the following structure.

data

  drugbank: Contains files with drugs from the DrugBank that have received regulatory approval. drugbank_approved.csv contains the full set of approved drugs along with ADMET-AI predictions, while the other files contain subsets of these molecules used for testing the speed of ADMET prediction tools.

  tdc_admet_all: Contains the data (.csv files) and RDKit features (.npz files) for all 41 single-task ADMET datasets from the Therapeutics Data Commons (TDC).

  tdc_admet_multitask: Contains the data (.csv files) and RDKit features (.npz files) for the two multi-task datasets (one regression and one classification) constructed by combining the tdc_admet_all datasets.

  tdc_admet_all.csv: A CSV file containing all 41 ADMET datasets from tdc_admet_all. This can be used to easily look up all ADMET properties for a given molecule in the TDC.

  tdc_admet_group: Contains the data (.csv files) and RDKit features (.npz files) for the 22 TDC ADMET Benchmark Group datasets with five splits per dataset.

  tdc_admet_group_raw: Contains the raw data (.csv files) used to construct the five splits per dataset in tdc_admet_group.

 

The models.zip file has the following structure. Note that the ADMET-AI website and Python package use the multi-task Chemprop-RDKit models below.

models

  tdc_admet_all: Contains Chemprop and Chemprop-RDKit models trained on all 41 single-task TDC ADMET datasets.

  tdc_admet_all_multitask: Contains Chemprop and Chemprop-RDKit models trained on the two multi-task TDC ADMET datasets (one regression and one classification).

  tdc_admet_group: Contains Chemprop and Chemprop-RDKit models trained on the 22 TDC ADMET Benchmark Group datasets.
DOI: 10.5281/zenodo.10372419
title: ADMET-AI: A machine learning ADMET platform for evaluation of large-scale chemical libraries – Data and Models

description: This repository contains data and models used in the following paper.

 

Swanson, K., Walther, P., Leitz, J., Mukherjee, S., Wu, J. C., Shivnaraine, R. V., & Zou, J. ADMET-AI: A machine learning ADMET platform for evaluation of large-scale chemical libraries. In review.

 

The data and models are meant to be used with the ADMET-AI code, which runs the ADMET-AI web server at admet.ai.greenstonebio.com.

 

The data.zip file has the following structure.

data

  drugbank: Contains files with drugs from the DrugBank that have received regulatory approval. drugbank_approved.csv contains the full set of approved drugs along with ADMET-AI predictions, while the other files contain subsets of these molecules used for testing the speed of ADMET prediction tools.

  tdc_admet_all: Contains the data (.csv files) and RDKit features (.npz files) for all 41 single-task ADMET datasets from the Therapeutics Data Commons (TDC).

  tdc_admet_multitask: Contains the data (.csv files) and RDKit features (.npz files) for the two multi-task datasets (one regression and one classification) constructed by combining the tdc_admet_all datasets.

  tdc_admet_all.csv: A CSV file containing all 41 ADMET datasets from tdc_admet_all. This can be used to easily look up all ADMET properties for a given molecule in the TDC.

  tdc_admet_group: Contains the data (.csv files) and RDKit features (.npz files) for the 22 TDC ADMET Benchmark Group datasets with five splits per dataset.

  tdc_admet_group_raw: Contains the raw data (.csv files) used to construct the five splits per dataset in tdc_admet_group.

 

The models.zip file has the following structure. Note that the ADMET-AI website and Python package use the multi-task Chemprop-RDKit models below.

models

  tdc_admet_all: Contains Chemprop and Chemprop-RDKit models trained on all 41 single-task TDC ADMET datasets.

  tdc_admet_all_multitask: Contains Chemprop and Chemprop-RDKit models trained on the two multi-task TDC ADMET datasets (one regression and one classification).

  tdc_admet_group: Contains Chemprop and Chemprop-RDKit models trained on the 22 TDC ADMET Benchmark Group datasets.
DOI: 10.1594/pangaea.227946
title: Interstitial water chemistry of Hole 64-476

description: Details given in volume 64, part 2, chapter 16
DOI: 10.1594/pangaea.681031
title: Meteorological synoptical observations from Neumayer Station (2001-10)
DOI: 10.1594/pangaea.424984
title: Hourly fast delivery sea level from coastal tide gauge station Tanjong_Pagar in 2002
DOI: 10.1594/pangaea.424988
title: Daily fast delivery sea level from coastal tide gauge station Tarawa-C in 1991
DOI: 10.1594/pangaea.424992
title: Daily fast delivery sea level from coastal tide gauge station Tarawa-C in 1995
DOI: 10.1594/pangaea.424996
title: Daily fast delivery sea level from coastal tide gauge station Tarawa-C in 1999
DOI: 10.1594/pangaea.227947
title: Interstitial water chemistry of Hole 64-477

description: Details given in volume 64, part 2, chapter 16
DOI: 10.1594/pangaea.424924
title: Daily fast delivery sea level from coastal tide gauge station Suva in 1990
DOI: 10.1594/pangaea.424997
title: Daily fast delivery sea level from coastal tide gauge station Tarawa-C in 2000
DOI: 10.1594/pangaea.227948
title: Interstitial water chemistry of Hole 64-477A

description: Details given in volume 64, part 2, chapter 16
DOI: 10.1594/pangaea.432445
title: Daily sea level from coastal tide gauge station Tumaco in 1967 (Research quality database)
DOI: 10.1594/pangaea.194641
title: Physical oceanography at station JCR2_CTD17

description: Plymouth Marine Laboratory. Authorship was originally "BODC" and was changed by request of the BODC.
DOI: 10.1594/pangaea.197338
title: Determination of the carbon and nitrogen system at station CD60_1606#U01

description: Bangor University School of Ocean Sciences. Authorship was originally taken from the JGOFS CDs (Lowry & BODC) and was changed by request of the BODC.
DOI: 10.1594/pangaea.197722
title: Nutrients measured on water bottle samples at station CD46_1705G#8A

description: Queen's University Belfast School of Biological Sciences. Authorship was originally taken from the JGOFS CDs (Lowry & BODC) and was changed by request of the BODC.
DOI: 10.1594/pangaea.398870
title: Water temperature and current velocity from RAFOS float SP96

description: Data have been checked by the WOCE Subsurface Float Data Assembly Center. See hdl:10013/epic.32931.d001 for further information.
DOI: 10.1594/pangaea.227961
title: Interstitial water chemistry of Hole 1-4

description: Details given in volume 1, chapter 20
DOI: 10.1594/pangaea.424929
title: Daily fast delivery sea level from coastal tide gauge station Suva in 1995
DOI: 10.1594/pangaea.432459
title: Daily sea level from coastal tide gauge station Tumaco in 1981 (Research quality database)
DOI: 10.1594/pangaea.424825
title: Hourly fast delivery sea level from coastal tide gauge station Spring_Bay in 1987
DOI: 10.1594/pangaea.424835
title: Daily fast delivery sea level from coastal tide gauge station Spring_Bay in 1994
DOI: 10.1594/pangaea.424893
title: Hourly fast delivery sea level from coastal tide gauge station St_Helena-1 in 1999
DOI: 10.1594/pangaea.424895
title: Hourly fast delivery sea level from coastal tide gauge station St_Helena-1 in 2000
DOI: 10.1594/pangaea.120666
title: Oxygen and salinity measured on water bottle samples at station TT007_3-CTD36
DOI: 10.1594/pangaea.424902
title: Daily fast delivery sea level from coastal tide gauge station St_Johns in 1999
DOI: 10.1594/pangaea.424904
title: Daily fast delivery sea level from coastal tide gauge station St_Johns in 2001
DOI: 10.1594/pangaea.197320
title: Determination of the carbon and nitrogen system at station CD60_1506#U06

description: Bangor University School of Ocean Sciences. Authorship was originally taken from the JGOFS CDs (Lowry & BODC) and was changed by request of the BODC.
DOI: 10.1594/pangaea.424909
title: Daily fast delivery sea level from coastal tide gauge station St_Paul_Island in 1997
DOI: 10.1594/pangaea.425015
title: Daily fast delivery sea level from coastal tide gauge station Townsville in 1999
DOI: 10.1594/pangaea.681919
title: Meteorological synoptical observations from Georg-von-Neumayer Station (1984-03)
DOI: 10.1594/pangaea.425166
title: Monthly fast delivery sea level from coastal tide gauge station Easter_Island-E, 1985-2002
DOI: 10.1594/pangaea.198413
title: Pigments measured at station DI191_12061#3

description: Plymouth Marine Laboratory. Authorship was originally taken from the JGOFS CDs (Lowry & BODC) and was changed by request of the BODC.
DOI: 10.1594/pangaea.425092
title: Daily fast delivery sea level from coastal tide gauge station Yap-B in 1985
DOI: 10.1594/pangaea.425098
title: Daily fast delivery sea level from coastal tide gauge station Yap-B in 1991
DOI: 10.1594/pangaea.324859
title: Water temperature real-time profiles from cruise LACF500 (DCQC)

description: For definition of quality flags see hdl:10013/epic.31518.d001
DOI: 10.1594/pangaea.425155
title: Monthly fast delivery sea level from coastal tide gauge station Churchill, 1985-2002
DOI: 10.1594/pangaea.359050
title: Water temperature XBT profiles from cruise JFPQ90 (SCQC)

description: SCQC=quality controlled by Science Center. For definition of quality flags see hdl:10013/epic.31518.d001
DOI: 10.1594/pangaea.425024
title: Daily fast delivery sea level from coastal tide gauge station Ushuaia in 1997
DOI: 10.1594/pangaea.425161
title: Monthly fast delivery sea level from coastal tide gauge station Darwin, 1985-2002
DOI: 10.1594/pangaea.425027
title: Hourly fast delivery sea level from coastal tide gauge station Ushuaia in 1999
DOI: 10.1594/pangaea.425028
title: Daily fast delivery sea level from coastal tide gauge station Ushuaia in 2000
DOI: 10.1594/pangaea.807041
title: Image analysis from TEM and AFM micrograph, Table S1, S2, S3, Figure S1, Figure S2

description: We report on metal enrichment along a natural pH gradient owing to increased CO2 degassing at cold, shal- low seeps of Vulcano Island in the Mediterranean Sea, off Sicily. We assessed composition of unfiltered and filtered seawater (b100 nm) along acidic zones ranging between ambient and pH 5, and showed that most seep derived elements are present as nanoclusters which then aggregate into larger colloids while mixing with ambient seawater along a pH gradient. Size and elemental composition of such naturally occurring nanoparticles assessed by modern characterisation methods were in good agreement with the results from conventional analytical methods.We provide analytical evidence for the presence in the water column of a large fraction of seep derived ele- ments (e.g. approximately 50% of iron, over 80% of Mn, 100% of Cr, S and Zn) in the form of nano sized par- ticles (e.g. b100 nm) even at typical open ocean pHs. We launch in situ sampling protocols and sample preparation procedures for multi-method suitable to obtain accurate measurements on nanoparticles from environmental samples. Based on our results a first insight to the formation of natural nanoparticles at cold CO2 seeps is presented and the persistence of such nano-clusters in the surrounding seawater is stipulated.
description: Supplement to: Kádár, Enikö; Fisher, Andrew; Stolpe, Björn; Harrison, Roy M; Parello, Francesco; Lead, Jamie (2012): Metallic nanoparticle enrichment at low temperature, shallow CO2 seeps in Southern Italy. Marine Chemistry, 140, 24-32
DOI: 10.1594/pangaea.944742
title: Continuous thermosalinograph oceanography along RV HEINCKE cruise track HE588

description: Raw data acquired by an SBE21 thermosalinograph and an auxiliary SBE38 temperature sensor (Sea-Bird Scientific, USA) installed in an underway seawater flow-through system on board RV Heincke were processed to yield a calibrated and validated data set of seawater temperature and salinity along the cruise track. The seawater inlet is located at a depth of 2 m. The raw hexadecimal data were downloaded from the DAVIS SHIP data base (https://dship.awi.de) at a resolution of 1 s, and converted to temperature and conductivity using the pre-deployment factory calibration coefficients. The converted data were averaged to 1 min values, outliers were removed, and sensor drift was corrected using coefficients obtained from a post-season calibration performed at Sea-Bird at the end of the measurement season. Salinity was calculated from internal temperature, conductivity and pressure according to the PSS-78 Practical Salinity Scale. Processed data are provided as 1 min means of seawater temperature, conductivity and salinity, aligned with position data taken from the master track. Quality flags are appended according to the SeaDataNet Data Quality Control Procedures (version from May 2010). More details are described in the attached processing report.
DOI: 10.1594/pangaea.425032
title: Daily fast delivery sea level from coastal tide gauge station Ushuaia in 2002
DOI: 10.1594/pangaea.198030
title: Pigments measured at station CD46_0305C#4

description: Plymouth Marine Laboratory, Queen's University Belfast School of Biological Sciences. Authorship was originally taken from the JGOFS CDs (Lowry & BODC) and was changed by request of the BODC.
DOI: 10.1594/pangaea.425033
title: Hourly fast delivery sea level from coastal tide gauge station Ushuaia in 2002
DOI: 10.1594/pangaea.197457
title: Determination of the carbon and nitrogen system at station CD60_2506#U14

description: Bangor University School of Ocean Sciences. Authorship was originally taken from the JGOFS CDs (Lowry & BODC) and was changed by request of the BODC.
DOI: 10.1594/pangaea.681974
title: Meteorological synoptical observations from Georg-von-Neumayer Station (1988-10)
DOI: 10.1594/pangaea.135910
title: Nutrients measured on water bottle samples at station A1/32
DOI: 10.1594/pangaea.425171
title: Monthly fast delivery sea level from coastal tide gauge station Fort_Point, 1985-2002
DOI: 10.1594/pangaea.424805
title: Hourly fast delivery sea level from coastal tide gauge station South_Beach in 1995
DOI: 10.1594/pangaea.425163
title: Monthly fast delivery sea level from coastal tide gauge station Diego_Ramirez, 1993-1998
DOI: 10.15468/dl.fmzzhg
title: Occurrence Download

description: A dataset containing 164 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Micrurus distans Wallach Et Al., 2014",
 "Country is Mexico"
 ]
}

 The dataset includes 164 records from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0076321-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ms9jya
title: Occurrence Download

description: A dataset containing 5739 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Continent is North America",
 "Continent is South America"
 ]
 },
 {
 "or" : [
 "PublishingOrg is 90fd6680-349f-11d8-aa2d-b8a03c50a862",
 "PublishingOrg is ae447c50-b8a8-11d8-92a4-b8a03c50a862"
 ]
 },
 "HasCoordinate is true",
 "TaxonKey is Ilex Tourn. ex L.",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 5739 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023014-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.a3cdry
title: Occurrence Download

description: A dataset containing 2171 species occurrences available in GBIF matching the query:
{
 "and" : [
 "CoordinateUncertaintyInMeters 0.0-1000000.0",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Pelagia noctiluca (Forsskål, 1775)",
 "Year 2000-2023"
 ]
}

 The dataset includes 2171 records from 43 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0019215-231120084113126/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8ncfiy
title: Occurrence Download

description: A dataset containing 164 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Micrurus distans Wallach Et Al., 2014",
 "Country is Mexico"
 ]
}

 The dataset includes 164 records from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0076323-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.n22w2s
title: Occurrence Download

description: A dataset containing 237 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Miconia monantha (L.O.Williams) Michelang."
 ]
}

 The dataset includes 237 records from 18 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0175183-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.0z6ode
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Zanthoxylum scabrum Guill.",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 2 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023015-151016162008034/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.95avav
title: Occurrence Download

description: A dataset containing 387 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is France",
 "OccurrenceStatus is Present",
 "TaxonKey is Achillea crithmifolia Waldst. & Kit."
 ]
}

 The dataset includes 387 records from 35 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011271-231120084113126/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.buv3e2
title: Occurrence Download

description: A dataset containing 6568 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Country is United States of America",
 "Year 2000-2020",
 "HasCoordinate is true",
 "TaxonKey is Asclepias tuberosa L.",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 6568 records from 5 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023015-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pyrmhe
title: Occurrence Download

description: A dataset containing 865 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Asparagus plumosus Baker"
 ]
}

 The dataset includes 865 records from 72 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0076325-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.fnpeol
title: Occurrence Download

description: A dataset containing 865 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Asparagus plumosus Baker"
 ]
}

 The dataset includes 865 records from 72 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0076326-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ubutfk
title: Occurrence Download

description: A dataset containing 994 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Country is United States of America",
 "Country is Mexico",
 "Country is Canada"
 ]
 },
 "HasCoordinate is true",
 "TaxonKey is Trifolium dubium Sibth.",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 994 records from 47 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023023-190621201848488/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.288s4v
title: Occurrence Download

description: A dataset containing 532 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Fejervarya cancrivora (Gravenhorst, 1829)",
 "Year 2016-2023"
 ]
}

 The dataset includes 532 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0011283-231120084113126/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ursebz
title: Occurrence Download

description: A dataset containing 2206 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Artibeus jamaicensis jamaicensis"
 ]
}

 The dataset includes 2206 records from 26 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023027-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xlotee
title: Occurrence Download

description: A dataset containing 260 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Themeda triandra Forssk.",
 "Country is China"
 ]
}

 The dataset includes 260 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0076327-160910150852091/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.