cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.3535/9vp-m02-2tr
title: Planorbis planorbis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/y2q-leh-zkl
title: Bractechlamys vexillum (Reeve, 1853)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/nc3-fh9-4kz
title: Cochlicopa lubrica (O. F. Müller, 1774)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/wvl-r2n-b2x
title: Perpolita hammonis (Strøm, 1765)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/wjv-6th-w56
title: Mimachlamys sanguinea (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/8t8-mdq-248
title: Bractechlamys Iredale, 1939

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/fy0-e25-zxa
title: Pneumoderma de Roissy, 1805

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/5j6-3ek-vn9
title: Filopaludina maekoki (Brandt, 1968)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/5pp-7qv-e0c
title: Gyraulus proclivis (E. von Martens, 1897)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/mb9-0g7-nx1
title: Nucella lapillus (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/dnt-1vh-saj
title: Flexopecten glaber (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/gwy-was-xjx
title: Bittium reticulatum (da Costa, 1778)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.15468/dl.twdqxs
title: Occurrence Download

description: A dataset containing 836 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is one of (Myrmelastes rufifacies)",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 "License is one of (CC-BY 4.0, CC0 1.0)"
 ]
}

 The dataset includes 836 records from 4 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001672-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/wsq-4r5-dcd
title: Perpolita hammonis (Strøm, 1765)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/cv8-44a-ytv
title: Perpolita hammonis (Strøm, 1765)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/mn5-cnk-ms3
title: Flexopecten glaber (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/6jk-n2t-3ss
title: Oxyloma elegans (Risso, 1826)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/k8b-89f-f53
title: Petricolaria pholadiformis (Lamarck, 1818)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.15468/dl.a72n6a
title: Occurrence Download

description: A dataset containing 529 species occurrences available in GBIF matching the query:
{
 "and" : [
 "BasisOfRecord is Human Observation",
 "Geometry POLYGON((-117.62973 49.25664,-117.65049 49.26913,-117.66835 49.27372,-117.67937 49.27384,-117.69024 49.27195,-117.71604 49.26233,-117.73218 49.26702,-117.73915 49.2714,-117.74703 49.27393,-117.7615 49.27398,-117.77507 49.26934,-117.78941 49.25745,-117.79355 49.25104,-117.79417 49.24711,-117.79123 49.24202,-117.779 49.2345,-117.77733 49.22879,-117.76979 49.2168,-117.7628 49.19414,-117.77398 49.17811,-117.78787 49.17404,-117.82258 49.16818,-117.8393 49.16061,-117.85061 49.14825,-117.85285 49.14093,-117.85121 49.13348,-117.84299 49.12583,-117.82168 49.11484,-117.81286 49.10752,-117.81129 49.10019,-117.82006 49.08715,-117.82059 49.0736,-117.8245 49.06748,-117.81685 49.05835,-117.80297 49.04885,-117.7883 49.04192,-117.77924 49.04237,-117.77823 49.04006,-117.77254 49.03636,-117.75682 49.03177,-117.75109 49.02687,-117.74331 49.02345,-117.73497 49.02181,-117.72444 49.02276,-117.71181 49.02847,-117.6934 49.04337,-117.68728 49.04348,-117.67878 49.0401,-117.6757 49.03575,-117.67632 49.02447,-117.6786 49.01688,-117.69029 49.00017,-117.5291 49.00107,-117.53156 49.00785,-117.53459 49.03161,-117.53999 49.05353,-117.54397 49.05992,-117.54323 49.06521,-117.53913 49.06669,-117.53544 49.07066,-117.5364 49.07262,-117.54098 49.07334,-117.5422 49.07499,-117.53252 49.08328,-117.53884 49.08782,-117.53837 49.09267,-117.5453 49.09802,-117.5464 49.10123,-117.55071 49.10223,-117.56903 49.1127,-117.64229 49.13811,-117.64824 49.14267,-117.65394 49.15263,-117.65906 49.17298,-117.6567 49.18447,-117.64899 49.19519,-117.62433 49.21817,-117.61813 49.22991,-117.61858 49.24138,-117.62319 49.24977,-117.62973 49.25664))",
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "IucnRedListCategory is one of (EN, NT, VU, CR)",
 "OccurrenceStatus is Present",
 "Year 2020-2025"
 ]
}

 The dataset includes 529 records from 2 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001673-250811113504898/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.3535/7b4-p5r-06j
title: Potamopyrgus antipodarum (J. E. Gray, 1843)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/e5p-4a6-2yl
title: Nodipecten nodosus (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/hk3-5fn-jfc
title: Theodoxus fluviatilis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/qkc-pss-zf7
title: Ancylus fluviatilis O. F. Müller, 1774

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ccc-vvt-4w7
title: Planorbis carinatus O. F. Müller, 1774

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/4nv-rkj-938
title: Xeroplexa intersecta (Poiret, 1801)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/j0z-w30-hys
title: Peringia ulvae (Pennant, 1777)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/add-cvd-rr0
title: Ecrobia ventrosa (Montagu, 1803)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ep9-rt6-slz
title: Gadila zonata (Boissevain, 1906)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/hqn-mrp-lzd
title: Potamopyrgus antipodarum (J. E. Gray, 1843)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/wtr-tkj-9kd
title: Planorbis carinatus O. F. Müller, 1774

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/q4s-rrg-f6j
title: Rissoina vanderspoeli De Jong & Coomans, 1988

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/vwv-d9x-lft
title: Tritia reticulata (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/erv-jhs-mbe
title: Peringia ulvae (Pennant, 1777)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/mjz-wy7-10e
title: Stagnicola palustris (O. F. Müller, 1774)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/fn5-m9g-wlh
title: Rugalucina vietnamica (Zorina, 1978)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/je1-j92-rx5
title: Physa fontinalis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/cd3-f0s-yj5
title: Succinea putris (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/g0j-n9j-smm
title: Succinea putris (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/b0d-sh2-2kh
title: Mimachlamys albolineata (G. B. Sowerby II, 1842)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/4h8-beh-x43
title: Cepaea nemoralis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/gy4-vbt-lsq
title: Trochulus hispidus (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/78v-x3k-3td
title: Circe Schumacher, 1817

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/cjg-d2e-3zl
title: Mirapecten rastellum (Lamarck, 1819)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/8gt-egd-jkn
title: Cepaea nemoralis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/t9v-x5e-qlm
title: Trochulus hispidus (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/m98-sny-c92
title: Philopotamis bicinctus (Reeve, 1854)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/nar-h38-z65
title: Opisthostoma pulvisculum van Benthem Jutting, 1952

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/cws-2c2-3v4
title: Euspira catena (da Costa, 1778)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/vrm-zne-n9p
title: Physa fontinalis (Linnaeus, 1758)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/5ks-4p6-0hl
title: Pseudamussium clavatum (Poli, 1795)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/0lk-s9f-4dg
title: †Joannites cymbiformis (Wulfen, 1793)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/5ee-q3s-y8g
title: Beyrichites

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ra3-fwr-5rt
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/zh1-jm0-r56
title: †Rhynchonella Fischer de Waldheim, 1809

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/n5d-s7t-2vp
title: Arcestes

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/s9n-99g-l2e
title: Eoasianites

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1l5-zsc-xh8
title: Juvavites

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/2g2-jrf-x19
title: Protrachyceras

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/857-71x-etr
title: Crinoidea Miller, 1821

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/9bm-k6a-aw5
title: †Joannites klipsteini (von Mojsisovics, 1875)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/x1p-qzf-4qh
title: Ptychoceras

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/x30-grz-ez7
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/4q5-yxy-3q8
title: †Dimorphastrea d'Orbigny, 1850

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1r8-3he-kpb
title: Duvalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/w10-7ja-604
title: Crinoidea Miller, 1821

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/c6q-kd2-zx5
title: Porifera Grant, 1836

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/ela-a3x-3kn
title: Rhacophyllites

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1ew-qs6-pjg
title: Anasibirites

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/226-1ez-0nq
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/9p8-8n7-vmg
title: Neogastropoda Wenz, 1938

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/8s5-hp0-77l
title: Homoeoplanulites

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/x8f-z86-fqt
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/n5k-kag-dv8
title: †Hypocladiscites subcarinatus (Gemmellaro, 1904)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/s60-0ek-wvb
title: Cervus Linnaeus, 1758

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/9gk-9q0-sxf
title: Cephalopoda Cuvier, 1795

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/m2k-kqg-2gz
title: Kosmoceras

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/383-bes-qa4
title: Animalia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/d0t-8es-9xl
title: Arcestes

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/dqd-j11-sqb
title: Globobulimina ovata (d'Orbigny, 1846)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/7gw-d2v-459
title: Crinoidea Miller, 1821

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/clk-hjc-ecm
title: Hungarites

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/1bz-sq3-a91
title: †Cancellaria esi Koperberg, 1931

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/pw6-z9p-69c
title: †Nassarius beberkirianus (K. Martin, 1906)

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/fq7-tdg-de7
title: †Conus ngavianus K. Martin, 1895

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/g3g-e23-46d
title: Griffithides

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/dn2-m8a-57p
title: Medlicottia

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.3535/xa5-j2t-be5
title: Brachiopoda Duméril, 1805

description: Digital Specimen for the physical specimen hosted at Naturalis Biodiversity Center.
DOI: 10.48573/1dr3-t027
title: Surface Groups Oman 1984-2021
DOI: 10.48573/yacn-as92
title: Surface Groups Oman 1984-2021
DOI: 10.48573/4cxd-8e11
title: Surface Groups Niger 1984-2021
DOI: 10.48573/f93c-xr44
title: Surface Groups Niger 1984-2021
DOI: 10.15468/dl.x33nnj
title: Occurrence Download

description: A dataset containing 11438 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasGeospatialIssue is false",
 "HasCoordinate is true",
 "OccurrenceStatus is Present",
 {
 "not" : {
 "BasisOfRecord" : [
 "is one of (Fossil, Living Specimen)"
 ]
 }
 },
 "TaxonKey is Guioa Cav."
 ]
}

 The dataset includes 11438 records from 75 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0001722-250515123054153/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.kww6n5
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{
 "and" : [
 "TaxonKey is Forcipomyia pulcherrima",
 "HasCoordinate is true",
 "HasGeospatialIssue is false"
 ]
}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0083733-250717081556266/datasets/export for details.
DOI: 10.15468/dl.gn2bcd
title: Occurrence Download

description: A dataset containing 0 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"equals","key":"GADM_LEVEL_2_GID","value":"UZB.1.2_1","matchCase":false},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 0 records from 0 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007308-260108223611665/datasets/export for details.
DOI: 10.15468/dl.3e9huy
title: Occurrence Download

description: A dataset containing 3082 species occurrences available in GBIF matching the query:
{
 "and" : [
 "HasCoordinate is true",
 "HasGeospatialIssue is false",
 "OccurrenceStatus is Present",
 "TaxonKey is Hydrophis platurus"
 ]
}

 The dataset includes 3082 records from 102 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007307-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.15468/dl.t2mrpb
title: Occurrence Download

description: A dataset containing 8 species occurrences available in GBIF matching the query:
{"type":"and","predicates":[{"type":"equals","key":"GADM_LEVEL_2_GID","value":"USA.4.8_1","matchCase":false},{"type":"equals","key":"CLASS_KEY","value":"212","matchCase":false},{"type":"greaterThanOrEquals","key":"YEAR","value":"2015","matchCase":false},{"type":"not","predicate":{"type":"in","key":"BASIS_OF_RECORD","values":["MATERIAL_CITATION","MATERIAL_SAMPLE","PRESERVED_SPECIMEN"],"matchCase":false}},{"type":"lessThanOrEquals","key":"COORDINATE_UNCERTAINTY_IN_METERS","value":"10000","matchCase":false},{"type":"equals","key":"LICENSE","value":"CC BY 4.0","matchCase":false}]}

 The dataset includes 8 records from 1 constituent datasets; see https://api.gbif.org/v1/occurrence/download/0007309-260108223611665/datasets/export for details.
 
Data from some individual datasets included in this download may be licensed under less restrictive terms.
DOI: 10.5517/ccdc.csd.cc2n5nvc
title: CCDC 2448313: Experimental Crystal Structure Determination

description: Related Article: Hongjun Li|2025|CSD Communication|||
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: 10.5281/zenodo.15322628
title: Dataset: Exploring science teachers' acceptance and requirements towards learning Apps in the digital age: A TAM-based study using semi-structured interviews

description: This study explores Austrian teachers' perspectives (N=14) on integrating Educational technology (EdTech), especially learning apps, in science education. Fourteen teachers were interviewed using a semi-structured approach, categorized into experienced, enthusiastic, and cautious groups. The interview guide, based on the Technology Acceptance Model (TAM), focused on four areas: prior experiences, integration strategies, app usage, and teacher support needs.
DOI: 10.5281/zenodo.15322629
title: Dataset: Exploring science teachers' acceptance and requirements towards learning Apps in the digital age: A TAM-based study using semi-structured interviews

description: This study explores Austrian teachers' perspectives (N=14) on integrating Educational technology (EdTech), especially learning apps, in science education. Fourteen teachers were interviewed using a semi-structured approach, categorized into experienced, enthusiastic, and cautious groups. The interview guide, based on the Technology Acceptance Model (TAM), focused on four areas: prior experiences, integration strategies, app usage, and teacher support needs.
DOI: 10.5281/zenodo.15477855
title: Data-Driven Design of High-Temperature-Resistant Polyimides Using Hierarchical Gaussian Process Regression

description: Accurate prediction of Tg for polyimides (PIs) is essential for assessing material performance in high-temperature applications in aerospace, electronics, microelectronics and flexible display technology. However, experimental measurements remain critically challenging due to the labor-intensive synthesis, conventional instrument limits, and time-consuming characterization processes. While force field limitations, timescale discrepancy and validation difficulties exist in the prediction of Tg for PIs using molecular dynamic stimulation. In this study, we introduce a hierarchical Gaussian process regression (HGPR) machine learning method that integrates prior knowledge to predict Tg for PIs with small-sample datasets. We employ RDKit for molecular descriptor calculation and feature selection. 21 key descriptors are identified and exceptional model performance with a coefficient of determination R² of 0.98/0.74 on the training/test set is achieved, surpassing conventional machine learning approaches. We further use SHapley Additive exPlanations (SHAP) analysis to study the actionable insights for designing thermally stable PIs. The number of rotatable bonds and minimum partial charge act as dominant factors influencing Tg. Validation through experimental synthesis and molecular dynamics simulations confirm that the prediction errors are below 15%, while a Bayesian update strategy with a radial basis function kernel corrected systematic underestimation in the high-Tg regime (> 270°C). This work provides a robust, validated Tg prediction tool, elucidates critical structure-property relationships, and establishes a transferable framework for data-driven materials design, advancing the development of high-performance polymers.