cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.15468/dl.9bnxur
title: Occurrence Download

description: A dataset containing 5786 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "Geometry POLYGON((-0.01195 40.16703,-0.26177 40.01677,-0.46583 39.83905,-0.60032 39.52471,-0.23886 38.79443,0.36104 38.60325,1.0777 38.73575,1.29308 39.27346,1.23591 39.93625,0.60979 40.22814,-0.01195 40.16703))",
 "IucnRedListCategory is one of (CR, EN, VU)",
 "Month is one of (May, April, March, June, July)",
 "OccurrenceStatus is Present",
 "Year 2020-2024"
 ]
}

 The dataset includes 5786 records from 11 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0030102-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xs5def
title: Occurrence Download

description: A dataset containing 205 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Muraenesox cinereus (Forsskål, 1775)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 205 records from 20 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0030103-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.ueb86w
title: Occurrence Download

description: A dataset containing 27951 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Sphyrna lewini (Griffith & Smith, 1834)"
 ]
}

 The dataset includes 27951 records from 256 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0030101-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.6084/m9.figshare.26326819
title: TARGET TYPE data extraction placental targets search SHORT.xlsx

description: Data extraction file for narrative review on novel placental therapeutic targets.
DOI: 10.6084/m9.figshare.26326819.v1
title: TARGET TYPE data extraction placental targets search SHORT.xlsx

description: Data extraction file for narrative review on novel placental therapeutic targets.
DOI: 10.15468/dl.bwbgdf
title: Occurrence Download

description: A dataset containing 12 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Muraenesox bagio (Hamilton, 1822)",
 "Geometry POLYGON((170 20, 170 50, 120 50, 120 20, 170 20))",
 "HasCoordinate is true"
 ]
}

 The dataset includes 12 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0030105-240626123714530/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5281/zenodo.11033665
title: Data for "High-Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design"

description: In the following subdirectories are the input and output of Gaussian calculations + structures from screening for this publication:

chemrxiv: 10.26434/chemrxiv.14604294

Published: 10.1002/anie.202106721

Previously uploaded in 10.5281/zenodo.8432296 and https://github.com/andrewtarzia/citable_data

Software repository: github.com/andrewtarzia/unsymm_match

screening_structures directory:



contains the structures from xTB optimisation that were used in ranking in structures.tar.gz as `.mol` files

all_cage_results.txt contains their properties for ranking


single_point_dft directory:



contains the structures and output of single point DFT calculations

during the revision process, we confirmed (based on reviewer suggestions) our DFT validation results using ORCA 4.2.1 with PBE0 and B97-3c in the gas phase. These results were consistent with our previous ones, so were not added to the manuscript. But are useful for future work!



These results are in the s_orca directory.




free_energy_calculations directory:



during the revision process, it was suggested to calculate the free energies using the xTB method (low-cost) and compare that to the total energies we use.

the script `run_gfn2_free_energy.py` in the unsymm_match code repository does this for top candidate ligands using the stko.XTB class.



for each structure, the free energy is output to a .fey file.
DOI: 10.5281/zenodo.11033666
title: Data for "High-Throughput Computational Evaluation of Low Symmetry Pd2L4 Cages to Aid in System Design"

description: In the following subdirectories are the input and output of Gaussian calculations + structures from screening for this publication:

chemrxiv: 10.26434/chemrxiv.14604294

Published: 10.1002/anie.202106721

Previously uploaded in 10.5281/zenodo.8432296 and https://github.com/andrewtarzia/citable_data

Software repository: github.com/andrewtarzia/unsymm_match

screening_structures directory:



contains the structures from xTB optimisation that were used in ranking in structures.tar.gz as `.mol` files

all_cage_results.txt contains their properties for ranking


single_point_dft directory:



contains the structures and output of single point DFT calculations

during the revision process, we confirmed (based on reviewer suggestions) our DFT validation results using ORCA 4.2.1 with PBE0 and B97-3c in the gas phase. These results were consistent with our previous ones, so were not added to the manuscript. But are useful for future work!



These results are in the s_orca directory.




free_energy_calculations directory:



during the revision process, it was suggested to calculate the free energies using the xTB method (low-cost) and compare that to the total energies we use.

the script `run_gfn2_free_energy.py` in the unsymm_match code repository does this for top candidate ligands using the stko.XTB class.



for each structure, the free energy is output to a .fey file.
DOI: 10.6084/m9.figshare.26334970
title: TARGET TYPE data extraction placental targets search SHORT.xlsx

description: PubMed search string used for narrative review for a search on placental therapeutic targets to treat preeclampsia.
DOI: 10.6084/m9.figshare.26334970.v1
title: TARGET TYPE data extraction placental targets search SHORT.xlsx

description: PubMed search string used for narrative review for a search on placental therapeutic targets to treat preeclampsia.
DOI: 10.15468/dl.z8dwq8
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Octomeria fibrifera Schltr."
 ]
}

 The dataset includes 34 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0181159-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uzoexy
title: Occurrence Download

description: A dataset containing 62 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hemigenia exilis S.Moore"
 ]
}

 The dataset includes 62 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023738-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pozlme
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Triaenodon obesus (Rüppell, 1837)",
 "Country is India"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-160802083343578/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cycbdw
title: Occurrence Download

description: A dataset containing 125 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Continent is South America",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Crypturellus parvirostris (Wagler, 1827)"
 ]
}

 The dataset includes 125 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0181157-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.af6a6f
title: Occurrence Download

description: A dataset containing 346 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Dendrosenecio elgonensis (T.C.E.Fr.) E.B.Knox"
 ]
}

 The dataset includes 346 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004963-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hwz26r
title: Occurrence Download

description: A dataset containing 3144 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((17.49006 -35.42507,24.0992 -35.42507,24.0992 -32.24556,17.49006 -32.24556,17.49006 -35.42507))",
 "HasCoordinate is true",
 {
 "or" : [
 "TaxonKey is Schinus molle L.",
 "TaxonKey is Hakea sericea Schrad. & J.C.Wendl.",
 "TaxonKey is Arundo donax L.",
 "TaxonKey is Acacia mearnsii De Wild.",
 "TaxonKey is Acacia cyclops A.Cunn. ex G.Don",
 "TaxonKey is Leptospermum laevigatum (Gaertn.) F.Muell.",
 "TaxonKey is Lantana camara L.",
 "TaxonKey is Acacia melanoxylon R.Br.",
 "TaxonKey is Acacia saligna (Labill.) H.L.Wendl.",
 "TaxonKey is Pinus canariensis C.Sm.",
 "TaxonKey is Pinus sylvestris L.",
 "TaxonKey is Pinus pinea L.",
 "TaxonKey is Pinus halepensis Mill.",
 "TaxonKey is Pinus pinaster Aiton"
 ]
 }
 ]
}

 The dataset includes 3144 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0115515-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4zhqee
title: Occurrence Download

description: A dataset containing 584 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Carex foliosissima F.Schmidt"
 ]
}

 The dataset includes 584 records from 29 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-170714134226665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.m554tm
title: Occurrence Download

description: A dataset containing 1314 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Colombia",
 "GadmGid is COL.5_2",
 "OccurrenceStatus is Present",
 "TaxonKey is Mammalia"
 ]
}

 The dataset includes 1314 records from 27 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0191996-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4qtzns
title: Occurrence Download

description: A dataset containing 4505 species occurrences available in GBIF matching the query:
{
 "and" : [
 {
 "or" : [
 "Continent is Africa",
 "Continent is Antarctica",
 "Continent is Asia",
 "Continent is Oceania"
 ]
 },
 "TaxonKey is Danaus Kluk, 1802"
 ]
}

 The dataset includes 4505 records from 30 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0115517-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.xk0wtt
title: Occurrence Download

description: A dataset containing 114 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Spain",
 "TaxonKey is Petrocoptis montsicciana O.Bolòs & Rivas Mart."
 ]
}

 The dataset includes 114 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-170816103707345/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zfnafc
title: Occurrence Download

description: A dataset containing 72 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-68.17841 18.9679,-68.17291 17.52319,-65.08575 17.50671,-65.07477 18.97339,-68.17841 18.9679))",
 "TaxonKey is Centris Fabricius, 1804"
 ]
}

 The dataset includes 72 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027690-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.bwf8k3
title: Occurrence Download

description: A dataset containing 23 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Helichrysum amblyphyllum Mattf."
 ]
}

 The dataset includes 23 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004978-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.yze6mw
title: Occurrence Download

description: A dataset containing 119 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Trithuria filamentosa Rodway"
 ]
}

 The dataset includes 119 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-170925132151566/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.i0qnlz
title: Occurrence Download

description: A dataset containing 34 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is Germany",
 "TaxonKey is Batrachospermum turfosum Bory de Saint-Vincent"
 ]
}

 The dataset includes 34 records from 7 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0023737-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.rcr54j
title: Occurrence Download

description: A dataset containing 190 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Oxalis illinoensis Schwegman"
 ]
}

 The dataset includes 190 records from 15 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0181160-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.mgtlyf
title: Occurrence Download

description: A dataset containing 965 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Tamarix chinensis Lour."
 ]
}

 The dataset includes 965 records from 83 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-171002173027117/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.v53ec9
title: Occurrence Download

description: A dataset containing 40 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Haplocarpha hastata K.Lewin"
 ]
}

 The dataset includes 40 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004975-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.zaykmg
title: Occurrence Download

description: A dataset containing 96 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-68.13446 18.87451,-68.12897 17.51221,-65.01984 17.49023,-65.05829 18.87451,-68.13446 18.87451))",
 "TaxonKey is Lasioglossum Curtis, 1833"
 ]
}

 The dataset includes 96 records from 3 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0027707-191105090559680/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nwbaf1
title: Occurrence Download

description: A dataset containing 289 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Agathis labillardierei Warb."
 ]
}

 The dataset includes 289 records from 12 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-171025204727650/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.wq3x4g
title: Occurrence Download

description: A dataset containing 120 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Helichrysum kilimanjari Oliv."
 ]
}

 The dataset includes 120 records from 21 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0004983-231002084531237/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.5vzy9a
title: Occurrence Download

description: A dataset containing 18220 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Pheugopedius genibarbis (Swainson, 1838)"
 ]
}

 The dataset includes 18220 records from 58 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0039963-210914110416597/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.uzfcnl
title: Occurrence Download

description: A dataset containing 309 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Loveridgea ionidesii (Battersby, 1950)"
 ]
}

 The dataset includes 309 records from 6 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-171107215919691/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.vdsvz5
title: Occurrence Download

description: A dataset containing 73 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Elytraria maritima J.K.Morton"
 ]
}

 The dataset includes 73 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0191960-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.j3a4cz
title: Occurrence Download

description: A dataset containing 26135 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is North America",
 "CoordinateUncertaintyInMeters 0.0-1060.0",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Araneae"
 ]
}

 The dataset includes 26135 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0115535-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.gsvhx9
title: Occurrence Download

description: A dataset containing 19557 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Hylocharis leucotis (Vieillot, 1818)"
 ]
}

 The dataset includes 19557 records from 93 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-171109162308116/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4fgftf
title: Occurrence Download

description: A dataset containing 2 species occurrences available in GBIF matching the query:
{
 "and" : [
 "GadmGid is one of (CHN.31_1, CHN.15_1, CHN.1_1, CHN.24_1)",
 "TaxonKey is Manis pentadactyla Linnaeus, 1758"
 ]
}

 The dataset includes 2 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0191936-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.qzxdfc
title: Occurrence Download

description: A dataset containing 386 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is South America",
 "TaxonKey is Heliamphora Benth."
 ]
}

 The dataset includes 386 records from 16 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0115538-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.f24brn
title: Occurrence Download

description: A dataset containing 21 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mniodes pickeringii (A.Gray) S.E.Freire, Chemisquy, Anderb. & Urtubey"
 ]
}

 The dataset includes 21 records from 8 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0181162-240321170329656/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.c7f4ms
title: Occurrence Download

description: A dataset containing 1912 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Specimen",
 "Geometry POLYGON((-18.24896 31.73550,-18.24896 67.53550,71.25104 67.53550,71.25104 31.73550,-18.24896 31.73550))",
 "HasCoordinate is true",
 "TaxonKey is Brassica rapa L.",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1912 records from 65 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000038-180131172636756/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.6j8tnu
title: Occurrence Download

description: A dataset containing 1013 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Elytraria marginata Vahl"
 ]
}

 The dataset includes 1013 records from 60 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0191957-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.cy96pf
title: Occurrence Download

description: A dataset containing 152 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is CHAS Botany Collection (Arctos)"
 ]
}

 The dataset includes 152 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0115539-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.hps7gr
title: Occurrence Download

description: A dataset containing 297 species occurrences available in GBIF matching the query:
{
 "TaxonKey" : [
 "is Mecocerculus calopterus (P.L.Sclater, 1859)"
 ]
}

 The dataset includes 297 records from 13 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0000039-150210113312293/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.4petpj
title: Occurrence Download

description: A dataset containing 27123 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is CNAV/Coleccion Nacional de Aves"
 ]
}

 The dataset includes 27123 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0191953-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.