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  1. 1
    Molecular Property Prediction Based on a Multichannel Substructure Graph
    Subjects: “...molecular property prediction...”
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    Article
  2. 2
    Functional and Material Properties in Nanocatalyst Design: A Data Handling and Sharing Problem
    Subjects: “...catalyst property prediction...”
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    Article
  3. 3
    Artificial Intelligence in Drug Design
    by Gerhard Hessler, Karl-Heinz Baringhaus
    Published 2018-10-01
    Subjects: “...property prediction...”
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    Article
  4. 4
    Complementing sequence-derived features with structural information extracted from fragment libraries for protein structure prediction
    Subjects: “...Protein property prediction...”
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    Article
  5. 5
    A microstructure-informatic strategy for Vickers hardness forecast of austenitic steels from experimental data
    by Xiaobing Hu, Junjie Li, Zhijun Wang, Jincheng Wang
    Published 2021-03-01
    Subjects: “...Property prediction...”
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    Article
  6. 6
    Machine learning: Accelerating materials development for energy storage and conversion
    by An Chen, Xu Zhang, Zhen Zhou
    Published 2020-05-01
    Subjects: “...property prediction...”
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    Article
  7. 7
    Hierarchical Machine Learning Model for Mechanical Property Predictions of Polyurethane Elastomers From Small Datasets
    Subjects: “...property prediction...”
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    Article
  8. 8
    Prediction of Molecular Properties Using Molecular Topographic Map
    by Atsushi Yoshimori
    Published 2021-07-01
    Subjects: “...property prediction...”
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    Article
  9. 9
    Flexible heuristic algorithm for automatic molecule fragmentation: application to the UNIFAC group contribution model
    by Simon Müller
    Published 2019-08-01
    Subjects: “...Property prediction...”
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    Article
  10. 10
    QUIMIOINFORMÁTICA: UMA INTRODUÇÃO
    Subjects: “...structure representation, property prediction...”
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    Article
  11. 11
    Deep Convolutional Neural Networks for the Prediction of Molecular Properties: Challenges and Opportunities Connected to the Data
    Subjects: “...molecular property prediction...”
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    Article
  12. 12
    Design and performance optimisation of detergent product containing binary mixture of anionic-nonionic surfactants
    Subjects: “...Property prediction models...”
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    Article
  13. 13
    Microstructural Quantification, Property Prediction, and Stochastic Reconstruction of Heterogeneous Materials Using Limited X-Ray Tomography Data
    Published 2017
    Subjects: “...property prediction...”
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    Doctoral Thesis
  14. 14
    Rubber Material Property Prediction Using Electron Microscope Images of Internal Structures Taken under Multiple Conditions
    Subjects: “...property prediction...”
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    Article
  15. 15
    Mechanical Properties Prediction for Hot Rolled Alloy Steel Using Convolutional Neural Network
    by Zhi-Wei Xu, Xiao-Ming Liu, Kai Zhang
    Published 2019-01-01
    Subjects: “...mechanical property prediction...”
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    Article
  16. 16
    Current Status of AMOEBA–IL: A Multipolar/Polarizable Force Field for Ionic Liquids
    Subjects: “...computational property prediction...”
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    Article
  17. 17
    Prediction of Physical and Mechanical Properties for Metallic Materials Selection Using Big Data and Artificial Neural Networks
    by D. Merayo, A. Rodriguez-Prieto, A. M. Camacho
    Published 2020-01-01
    Subjects: “...property prediction...”
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    Article
  18. 18
    Active learning efficiently converges on rational limits of toxicity prediction and identifies patterns for molecule design
    by Ahsan, Habib Polash
    Published 2021
    Subjects: “...Quantitative structure-property prediction...”
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    Doctoral Thesis
  19. 19
    Understanding Fields by Remote Sensing: Soil Zoning and Property Mapping
    Subjects: “...soil property prediction...”
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    Article
  20. 20
    Computer aided polymer design using multi-scale modelling
    Subjects: “...Property prediction...”
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    Article
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