cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.17632/ch7yy7xbgz.1
title: 7. Connecting CHEMCAD to a Machine Learning Model on the Wolfram Cloud

description: CHEMCAD is a suite of process design software and Mathematica is a powerful computer algebra system for theoretical or numerical solution of advanced mathematical problems. In previous publications, we provided detailed instructions and examples for connecting Mathematica running locally or on the cloud to CHEMCAD. In References 1-3, we showed how to connect CHEMCAD to Excel using Mathematica Link for Excel running locally on the desktop computer. References 4 and 5 explain how to deploy functions to the cloud and then connect them to CHEMCAD. Once deployed to the cloud, functions can be accessed over the internet in Excel, which in turn is connected to CHEMCAD through data mapping. Reference 6 extends the procedure to Aspen Plus. This data set further extends the study to supervised machine learning using a rudimentary proof-of-concept predictive model for the membrane process.

The example is a simple well-mixed membrane calculation with a fully specified feed stream split by the membrane into retentate and permeate streams similar to References 7 and 8. To arrive at a solution, we used the model in Reference 5 to generate a table of data that is used in Mathematica to train the model. The model is not very flexible because the feed flow rate, retentate, and permeate pressures are fixed. However, the model can be generalized by adding additional data sets. The results are interesting because a wide range of advanced AI and machine learning tools are available in the Wolfram language that could further extend this technique to problems in modeling and process control. For example, we envision streams of data fed to CHEMCAD through the OPC server to enable application of reinforced learning models.
DOI: 10.15468/dl.axe9q3
title: Occurrence Download

description: A dataset containing 328117 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Country is one of (Ireland, Svalbard and Jan Mayen, Portugal, Spain, France, Germany, Belgium, Netherlands, Denmark, Estonia, Latvia, Lithuania, Italy, Greece, Cyprus, Türkiye, Russian Federation, Ukraine, Romania, Bulgaria, Albania, Croatia, Austria, Slovakia, Poland)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Lotus pedunculatus Cav."
 ]
}

 The dataset includes 328117 records from 1530 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0087747-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc3c3l4
title: CCDC 100055: Experimental Crystal Structure Determination

description: Related Article: A.Vigalok, H.-B.Kraatz, L.Konstantinovsky, D.Milstein|1997|Chem.-Eur.J.|3|253|doi:10.1002/chem.19970030214
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/cc41cgz
title: CCDC 120480: Experimental Crystal Structure Determination

description: Related Article: T.Peymann, E.Lork, M.Schmidt, H.Noth, D.Gabel|1997|Chem.Ber.|130|795|doi:10.1002/cber.19971300619
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/cc3hg12
title: CCDC 104223: Experimental Crystal Structure Determination

description: Related Article: A.Mondal, C.Pariya, N.R.Chaudhuri, N.P.Nayak, A.K.Mukherjee, A.Ghosh|1997|Polyhedron|16|39|doi:10.1016/0277-5387(96)00254-9
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/ccnx3c0
title: CCDC 622832: Experimental Crystal Structure Determination

description: Related Article: G.C.Rovnyak, S.D.Kimball, B.Beyer, G.Cucinotta, J.D.Di Marco, J.Gougoutas, A.Hedberg, M.Malley, J.P.McCarthy, Rongan Zhang, S.Moreland|1995|J.Med.Chem.|38|119|doi:10.1021/jm00001a017
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: 10.15468/dl.ebx2sn
title: Occurrence Download

description: A dataset containing 52449 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Continent is Asia",
 "Country is China",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "StateProvince is one of (西藏自治区, 青海)"
 ]
}

 The dataset includes 52449 records from 9 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009179-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc4150b
title: CCDC 120280: Experimental Crystal Structure Determination

description: Related Article: Feng-Quan Liu, A.Kunzel, A.Herzog, H.W.Roesky, M.Noltemeyer, R.Fleischer, D.Stalke|1997|Polyhedron|16|61|doi:10.1016/0277-5387(96)00268-9
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/cc4151c
title: CCDC 120281: Experimental Crystal Structure Determination

description: Related Article: Feng-Quan Liu, A.Kunzel, A.Herzog, H.W.Roesky, M.Noltemeyer, R.Fleischer, D.Stalke|1997|Polyhedron|16|61|doi:10.1016/0277-5387(96)00268-9
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/ccrvhbd
title: CCDC 710654: Experimental Crystal Structure Determination

description: Related Article: A.Escuer, R.Vicente, S.B.Kumar, X.Solans, M.Font-Bardia|1997|J.Chem.Soc.,Dalton Trans.||403|doi:10.1039/a605466h
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/cc3c56t
title: CCDC 100105: Experimental Crystal Structure Determination

description: Related Article: R.Bau, M.H.Drabnis, L.Garlaschelli, W.T.Klooster, Z.Xie, T.F.Koetzle, S.Martinengo|1997|Science|275|1099|doi:10.1126/science.275.5303.1099
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/cc3s2nl
title: CCDC 112519: Experimental Crystal Structure Determination

description: Related Article: S.Michel, E.Le Gall, J.-P.Hurvois, C.Moinet, A.Tallec, P.Uriac, L.Toupet|1997|Liebigs Ann.|1997|259|doi:10.1002/jlac.199719970137
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/cc3c68x
title: CCDC 100138: Experimental Crystal Structure Determination

description: Related Article: H.J.Breunig, J.Probst, K.H.Ebert, E.Lork, R.Cea-Olivares, J.-G.Alvarado-Rodriguez|1997|Chem.Ber.|130|959|doi:10.1002/cber.19971300724
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/cc3sx3w
title: CCDC 113308: Experimental Crystal Structure Determination

description: Related Article: H.J.Breunig, J.Probst, K.H.Ebert, E.Lork, R.Cea-Olivares, J.-G.Alvarado-Rodriguez|1997|Chem.Ber.|130|959|doi:10.1002/cber.19971300724
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/cc3wgfv
title: CCDC 115767: Experimental Crystal Structure Determination

description: Related Article: Ki-Young Choi, Mi-Ran Oh, Il-Hwan Suh|1997|Chem.Lett.|26|147|doi:10.1246/cl.1997.147
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/cc3wm3p
title: CCDC 115912: Experimental Crystal Structure Determination

description: Related Article: M.Ashizawa, M.Aragaki, T.Mori, Y.Misaki, T.Yamabe|1997|Chem.Lett.|26|649|doi:10.1246/cl.1997.649
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/cc3kqfs
title: CCDC 106405: Experimental Crystal Structure Determination

description: Related Article: M.Weidenbruch, H.Kilian, M.Sturmann, S.Pohl, W.Saak, H.Marsmann, D.Steiner, A.Berndt|1997|J.Organomet.Chem.|530|255|doi:10.1016/S0022-328X(96)06666-1
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/cc3wm2n
title: CCDC 115911: Experimental Crystal Structure Determination

description: Related Article: S.Korn, W.S.Sheldrick|1997|J.Chem.Soc.,Dalton Trans.||2191|doi:10.1039/a700976c
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/cc3w256
title: CCDC 115387: Experimental Crystal Structure Determination

description: Related Article: A.Mahieu, Y.Miquel, A.Igau, B.Donnadieu, J.-P.Majoral|1997|Organometallics|16|3086|doi:10.1021/om970216i
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/cc44nmj
title: CCDC 123647: Experimental Crystal Structure Determination

description: Related Article: K.Hassler, G.M.Kollegger, H.Siegl, G.Klintschar|1997|J.Organomet.Chem.|533|51|doi:10.1016/S0022-328X(96)06822-2
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/cc3c4f0
title: CCDC 100081: Experimental Crystal Structure Determination

description: Related Article: S.Kleinhenz, M.Schubert, K.Seppelt|1997|Chem.Ber.|130|903|doi:10.1002/cber.19971300715
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/cc3w267
title: CCDC 115388: Experimental Crystal Structure Determination

description: Related Article: A.Mahieu, Y.Miquel, A.Igau, B.Donnadieu, J.-P.Majoral|1997|Organometallics|16|3086|doi:10.1021/om970216i
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/cc3c4td
title: CCDC 100093: Experimental Crystal Structure Determination

description: Related Article: K.Waschbusch, P.Le Floch, L.Ricard, F.Mathey|1997|Chem.Ber.|130|843|doi:10.1002/cber.19971300706
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/cc3c6qc
title: CCDC 100152: Experimental Crystal Structure Determination

description: Related Article: S.Kleinhenz, M.Schubert, K.Seppelt|1997|Chem.Ber.|130|903|doi:10.1002/cber.19971300715
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: 10.15468/dl.mvr363
title: Occurrence Download

description: A dataset containing 1 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Armadillo officinalis",
 "Country is Netherlands",
 "HasCoordinate is true"
 ]
}

 The dataset includes 1 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0009206-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/cc43s00
title: CCDC 122791: Experimental Crystal Structure Determination

description: Related Article: W.Lesueur, E.Solari, C.Floriani, A.Chiesi-Villa, C.Rizzoli|1997|Inorg.Chem.|36|3354|doi:10.1021/ic9700819
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/cc43s11
title: CCDC 122792: Experimental Crystal Structure Determination

description: Related Article: W.Lesueur, E.Solari, C.Floriani, A.Chiesi-Villa, C.Rizzoli|1997|Inorg.Chem.|36|3354|doi:10.1021/ic9700819
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/cc43s22
title: CCDC 122793: Experimental Crystal Structure Determination

description: Related Article: W.Lesueur, E.Solari, C.Floriani, A.Chiesi-Villa, C.Rizzoli|1997|Inorg.Chem.|36|3354|doi:10.1021/ic9700819
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: 10.15468/dl.mmavj9
title: Occurrence Download

description: A dataset containing 170 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Parachromis motaguensis",
 "HasCoordinate is true"
 ]
}

 The dataset includes 170 records from 17 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002125-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.y39spv
title: Occurrence Download

description: A dataset containing 282620 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Cuculiformes)",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "Year is greater than or equal to 1980",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "Geometry POLYGON((120 -30,150 -30,150 0,120 0,120 -30))"
 ]
}

 The dataset includes 282620 records from 44 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0002045-251009101135966/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.38fx6d
title: Occurrence Download

description: A dataset containing 38 species occurrences available in GBIF matching the query:
{
 "and" : [
 "DatasetKey is Lemur_occurrences_TAF_MLP_20190917",
 "TaxonKey is Daubentonia madagascariensis (Gmelin, 1788)"
 ]
}

 The dataset includes 38 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0071837-240506114902167/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.3jyjta
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 8 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0008629-180412121330197/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.nrcdlj
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 8 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0013408-160311141623029/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.2x54yr
title: Occurrence Download

description: A dataset containing 7051 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is Plantas Vasculares del Herbario EIF"
 ]
}

 The dataset includes 7051 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0163507-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.os9ffp
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 32 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0031871-180508205500799/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.pnbxxk
title: Occurrence Download

description: A dataset containing 32 species occurrences available in GBIF matching the query:
{
 "DatasetKey" : [
 "is (Table 1) Proportion of Toxoplasma gondii seropositive arctic foxes (Alopex lagopus) by age group and geographic area"
 ]
}

 The dataset includes 32 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001092-180824113759888/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.jh8pwn
title: Occurrence Download

description: A dataset containing 63 species occurrences available in GBIF matching the query:
{
 "and" : [
 "Geometry POLYGON((-98.50022 15.29704,-86.41147 15.29704,-86.41147 20.18398,-98.50022 20.18398,-98.50022 15.29704))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "InstitutionCode is one of (ummz, cas, fmnh, lsumz, slu, ecosur, encb-ipn, ibunam)",
 "TaxonKey is Atherinella schultzi (Álvarez & Carranza, 1952)"
 ]
}

 The dataset includes 63 records from 10 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0163156-230224095556074/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.8d8qs9
title: Occurrence Download

description: A dataset containing 1351644179 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "Year 1970-2020",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 1351644179 records from 22455 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0015724-200613084148143/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.