yusuke1997/dblp-id-title huggingface dataset:
Novel Statistical Approach for Primary High-Throughput Screening Hit Selection
Mechanistic Insights into HP1α CSD Oligomerization and the Role of PxVxL Motif-Containing Proteins
Plant Metabolite Databases: From Herbal Medicines to Modern Drug Discovery
Proteochemometric Modeling of Drug Resistance over the Mutational Space for Multiple HIV Protease Variants and Multiple Protease Inhibitors
An Automated Docking Protocol for hERG Channel Blockers
ParaDockS: A Framework for Molecular Docking with Population-Based Metaheuristics
Machine Learning-Aided Screening and Design Rule Discovery for LWIR-Transparent Optical Materials
Quantum Mechanical-Cluster Approach to Solve the Bioisosteric Replacement Problem in Drug Design
The Valence State Combination Model: A Generic Framework for Handling Tautomers and Protonation States
The Chemical Abstracts Service Chemical Registry System. II. Augmented Connectivity Molecular Formula
Performance Comparison of Systematic Methods for Rigorous Definition of Coarse-Grained Sites of Large Biomolecules
An Efficient Implementation of a Drug Candidate Database
Synthetic Chemical Literature
Ligand Binding and Functional Effect of Novel Bicyclic α5 GABA A Receptor Negative Allosteric Modulators
KnowTD─An Actionable Knowledge Representation System for Thermodynamics
Allosteric Control of N-Acetyl-Aspartate Hydrolysis by the Y231C and F295S Mutants of Human Aspartoacylase
Spectral Moments of Polycyclic Aromatic Hydrocarbons. Solution of a Kinetic Problem
Small Molecule Conformational Preferences Derived from Crystal Structure Data. A Medicinal Chemistry Focused Analysis
Molecular Mechanisms of Diverse Activation Stimulated by Different Biased Agonists for the β2-Adrenergic Receptor
Improving Accuracy and Transferability of Machine Learning Chemical Activation Energies by Adding Electronic Structure Information
TMB Library of Nucleosome Simulations
Impact of Genetic Variants Associated with Neurodevelopmental Disorders on the WAVE Regulatory Complex
Computational Modeling Toward Understanding Agonist Binding on Dopamine 3
Insights into the Role of Magnesium Triad in myo -Inositol Monophosphatase: Metal Mechanism, Substrate Binding, and Lithium Therapy
Structure searches in patent literature: A comparison study between IDC GREMAS and Derwent Chemical Code
Advanced Electrostatic Model for Monovalent Ions Based on Ab Initio Energy Decomposition
Very broad Markush claims; a solution or a problem? Proceedings of a round-table discussion held on August 29, 1990
MutualDTA: An Interpretable Drug-Target Affinity Prediction Model Leveraging Pretrained Models and Mutual Attention
Discovery of Chemical Compound Groups with Common Structures by a Network Analysis Approach (Affinity Prediction Method)
Predictions for α-Helical Glycopeptide Design from Structural Bioinformatics Analysis
Exploring the Impact of Physiological C-Terminal Truncation on α-Synuclein Conformations to Unveil Mechanisms Regulating Pathological Aggregation
Higher Accuracy Achieved for Protein-Ligand Binding Pose Prediction by Elastic Network Model-Based Ensemble Docking
Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated Fragment Spaces
Algorithm for Naming Molecular Equivalence Classes Represented by Labeled Pseudographs
Fusing Dual-Event Data Sets for Mycobacterium tuberculosis Machine Learning Models and Their Evaluation
Docking for Molecules That Bind in a Symmetric Stack with SymDOCK
Solvent Accessible Surface Area-Based Hot-Spot Detection Methods for Protein-Protein and Protein-Nucleic Acid Interfaces
tmQMg* Data Set: Excited State Properties of 74k Transition Metal Complexes
Integration of Cryo-EM Model Building Software in Scipion
Novel Alignment Method of Small Molecules Using the Hopfield Neural Network
SELFprot: Effective and Efficient Multitask Finetuning Methods for Protein Parameter Prediction
A Bond Flexibility Index Derived from the Constitution of Molecules
Magnesium-Based Oxyfluoride Superatoms: Design, Structure, and Electronic Properties
CKineticsDB─An Extensible and FAIR Data Management Framework and Datahub for Multiscale Modeling in Heterogeneous Catalysis
Prediction of Human Pathogenic Start Loss Variants Based on Multi-channel Features
The STAR file: a new format for electronic data transfer and archiving
Molecular Interaction between Distal C-Terminal Domain of the CB1 Cannabinoid Receptor and Cannabinoid Receptor Interacting Proteins (CRIP1a/CRIP1b)
Artificial Neural Network Modification of Simulation-Based Fitting: Application to a Protein-Lipid System
AGDNGDA: Unraveling Drug-Associated Genes with Adaptive Graph Diffusion Networks
Not from Scratch: Predicting Thermophysical Properties through Model-Based Transfer Learning Using Graph Convolutional Networks
Development of an Informatics Platform for Therapeutic Protein and Peptide Analytics
Novel Feature Extraction Technique for Fuzzy Relational Clustering of a Flexible Dopamine Reuptake Inhibitor
Investigation of Electrostatic Effects on Enyzme Catalysis: Insights from Computational Simulations of Monoamine Oxidase A Pathological Variants Leading to the Brunner Syndrome
Constraint Network Analysis (CNA): A Python Software Package for Efficiently Linking Biomacromolecular Structure, Flexibility, (Thermo-)Stability, and Function
Predicting Toxicities of Diverse Chemical Pesticides in Multiple Avian Species Using Tree-Based QSAR Approaches for Regulatory Purposes
GRELinker: A Graph-Based Generative Model for Molecular Linker Design with Reinforcement and Curriculum Learning
Active Site Flexibility of Mycobacterium tuberculosis Isocitrate Lyase in Dimer Form
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics Trajectories
Generalized Proteochemometric Model of Multiple Cytochrome P450 Enzymes and Their Inhibitors
Absolute Net Charge and the Biological Activity of Oligopeptides
Exploiting Conformational Dynamics in Drug Discovery: Design of C-Terminal Inhibitors of Hsp90 with Improved Activities
Looking for an Unambiguous Geometrical Definition of Organic Series from 3-D Molecular Similarity Indices
A Novel PI Index and Its Applications to QSPR/QSAR Studies
Structural Basis for Selective Inhibition of Trypanosomatid Glyceraldehyde-3-Phosphate Dehydrogenase: Molecular Docking and 3D QSAR Studies
NJmat: Data-Driven Machine Learning Interface to Accelerate Material Design
DeepMVD: A Novel Multiview Dynamic Feature Fusion Model for Accurate Protein Function Prediction
Assessment of Solvated Interaction Energy Function for Ranking Antibody-Antigen Binding Affinities
Enumeration of Poly-5-catafusenes Representing a Class of Catacondensed Polycyclic Conjugated Hydrocarbons
ProSAR: A New Methodology for Combinatorial Library Design
ChatGPT Combining Machine Learning for the Prediction of Nanozyme Catalytic Types and Activities
'Inductive' Charges on Atoms in Proteins: Comparative Docking with the Extended Steroid Benchmark Set and Discovery of a Novel SHBG Ligand
Development of New Methods Needs Proper Evaluation - Benchmarking Sets for Machine Learning Experiments for Class A GPCRs
Predicting Solvent-Dependent Nucleophilicity Parameter with a Causal Structure Property Relationship
Discovery of New Estrogen-Related Receptor α Agonists via a Combination Strategy Based on Shape Screening and Ensemble Docking
A Uniform Random Number Generator That Is Reproducible, Hardware-Independent, and Fast
In Silico Prediction of Volume of Distribution in Humans. Extensive Data Set and the Exploration of Linear and Nonlinear Methods Coupled with Molecular Interaction Fields Descriptors
Diagnosing Breast Cancer Based on Support Vector Machines
Quantitative Structure-Activity Relationship for Cyclic Imide Derivatives of Protoporphyrinogen Oxidase Inhibitors: A Study of Quantum Chemical Descriptors from Density Functional Theory
Assessing the Predictive Power of Unsupervised Visualization Techniques to Improve the Identification of GPCR-Focused Compound Libraries
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
Study of Correlated Motions to Detect the Conformational Transitions of the Intrinsically Disordered Sheep Prion Peptide
SHOP: Receptor-Based Scaffold HOPping by GRID-Based Similarity Searches
Considerations in Compound Database Preparation-"Hidden" Impact on Virtual Screening Results
Novel Mycosin Protease MycP 1 Inhibitors Identified by Virtual Screening and 4D Fingerprints
Enthalpy of the Gas-Phase CO2 + Mg Reaction from ab Initio Total Energies
Automated Parameterization of Coarse-Grained Polyethylenimine under a Martini Framework
Compact Codes: On Nomenclature of Acyclic Chemical Compounds
Molecular Simulation of αvβ6 Integrin Inhibitors
Reconstructing Chromatic-Dispersion Relations and Predicting Refractive Indices Using Text Mining and Machine Learning
Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment
Library Fingerprints: A Novel Approach to the Screening of Virtual Libraries
af3cli: Streamlining AlphaFold3 Input Preparation
DihedralsDiff: A Diffusion Conformation Generation Model That Unifies Local and Global Molecular Structures
Protein-Ligand Complexes as Constrained Dynamical Systems
Computational Evidence for the Role of Arabidopsis thaliana UVR8 as UV-B Photoreceptor and Identification of Its Chromophore Amino Acids
Application of Graph Theory to Chemical Kinetics, 3. Topological Specificity of Multiroute Reaction Mechanisms
Similarity Searching in Files of Three-Dimensional Chemical Structures: Evaluation of the EVA Descriptor and Combination of Rankings Using Data Fusion
StructSorter: A Method for Continuously Updating a Comprehensive Protein Structure Alignment Database
Homodimerization of Neurotensin 1 Receptor Involves Helices 1, 2, and 4: Insights from Quaternary Structure Predictions and Dimerization Free Energy Estimations
Discovery of Brain-Penetrative Negative Allosteric Modulators of NMDA Receptors Using FEP-Guided Structure Optimization and Membrane Permeability Prediction
Contemporary Instrumental Analysis By Kenneth A. Rubinson and Judith Faye Rubinson. Prentice-Hall: Upper Saddle River, NJ, 2000, 840 pp, ISBN 0-13-790726-5
The Conformational Transition Pathways and Hidden Intermediates in DFG-Flip Process of c-Met Kinase Revealed by Metadynamics Simulations
QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants
A Practical Covariance-Based Method for Efficient Detection of Protein-Protein Attractive and Repulsive Interactions in Molecular Dynamics Simulations
Task-Specific Activity Cliff Prediction Method Based on Transfer Learning and a Hyper Connection Graph Model
Predictive Structure-Based Toxicology Approaches To Assess the Androgenic Potential of Chemicals
A stereochemically accurate chemical substance database based on the systematic names of organic compounds. 1. Low molecular weight organic compounds
Effects of Ligand Environment in Zr(IV) Assisted Peptide Hydrolysis
25 Years of Small-Molecule Optimization at Novartis: A Retrospective Analysis of Chemical Series Evolution
Protein-Protein Interface Topology as a Predictor of Secondary Structure and Molecular Function Using Convolutional Deep Learning
Ligand Unbinding Pathway and Mechanism Analysis Assisted by Machine Learning and Graph Methods
Eigenvalue distributions for the graphs of alternant hydrocarbons
Recent Studies of Artificial Intelligence on In Silico Drug Absorption
Hierarchical Multicriteria Optimization of Molecular Models of Water
Ligand-Induced Conformational and Dynamical Changes in a GT-B Glycosyltransferase: Molecular Dynamics Simulations of Heptosyltransferase I Complexes
Mining Knowledge from Crystal Structures: Oxidation States of Oxygen-Coordinated Metal Atoms in Ionic and Coordination Compounds
A Comparison between the Matula Numbers and Bit-tuple Notation for Rooted Trees
Aminopyrimidine Derivatives as Multiflavivirus Antiviral Compounds Identified from a Consensus Virtual Screening Approach
Acetylcholinesterase Inhibitors: Structure Based Design, Synthesis, Pharmacophore Modeling, and Virtual Screening
Machine Learning Prediction on Properties of Nanoporous Materials Utilizing Pore Geometry Barcodes
High-Throughput Modeling of Human G-Protein Coupled Receptors: Amino Acid Sequence Alignment, Three-Dimensional Model Building, and Receptor Library Screening
Structure-Based Virtual Screening of the Nociceptin Receptor: Hybrid Docking and Shape-Based Approaches for Improved Hit Identification
Predicting the Affinity of Peptides to Major Histocompatibility Complex Class II by Scoring Molecular Dynamics Simulations
A priori estimates of the elution profiles of the pure components in overlapped liquid chromatography peaks using target factor analysis
On Structural Interpretation of Several Distance Related Topological Indices
Prediction of Enzyme Catalysis by Computing Reaction Energy Barriers via Steered QM/MM Molecular Dynamics Simulations and Machine Learning
A New Method for Fast and Accurate Derivation of Molecular Conformations
Bridging Thermodynamics, Antimicrobial Activity, and pH Sensitivity of Cationic Membranolytic Heptapeptides-A Computational and Experimental Study
Comparison and Evaluation of Force Fields for Intrinsically Disordered Proteins
FESetup: Automating Setup for Alchemical Free Energy Simulations
Hierarchical Neural Network Modeling for Infrared Spectra Interpretation of Modified Starches
Unraveling the Molecular Mechanism of Recognition of Human Interferon-Stimulated Gene Product 15 by Coronavirus Papain-Like Proteases: A Multiscale Simulation Study
Docking Ligands into Flexible and Solvated Macromolecules. 8. Forming New Bonds─Challenges and Opportunities
Speeding Up Chemical Searches Using the Inverted Index: The Convergence of Chemoinformatics and Text Search Methods
Evaluating Unexpectedly Short Non-covalent Distances in X-ray Crystal Structures of Proteins with Electronic Structure Analysis
CRC's Properties of Organic Compounds CD-ROM
Examining Product Specificity in Protein Arginine Methyltransferase 7 (PRMT7) Using Quantum and Molecular Mechanical Simulations
Copyright from a permissions person's point of view
Extension of Edge Connectivity Index. Relationships to Line Graph Indices and QSPR Applications
molli: A General Purpose Python Toolkit for Combinatorial Small Molecule Library Generation, Manipulation, and Feature Extraction
Computational Modeling of the Enzymatic Achmatowicz Rearrangement by Heme-Dependent Chloroperoxidase: Reaction Mechanism, Enantiopreference, Regioselectivity, and Substrate Specificity
Do Biologically Relevant Compounds Have More Chance To Be Drugs?
Diversity Space and Its Application to Library Selection and Design
Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data Sets
AI-Designed Molecules in Drug Discovery, Structural Novelty Evaluation, and Implications
p K 50 ─A Rigorous Indicator of Individual Functional Group Acidity/Basicity in Multiprotic Compounds
Replica-Exchange Enveloping Distribution Sampling Using Generalized AMBER Force-Field Topologies: Application to Relative Hydration Free-Energy Calculations for Large Sets of Molecules
Prediction of Surface Tension, Viscosity, and Thermal Conductivity for Common Organic Solvents Using Quantitative Structure-Property Relationships
Evaluation of the Coupled Two-Dimensional Main Chain Torsional Potential in Modeling Intrinsically Disordered Proteins
Digging out the Molecular Connections between the Catalytic Mechanism of Human Lysosomal α-Mannosidase and Its Pathophysiology
Predicting Protein-Peptide Interactions: Benchmarking Deep Learning Techniques and a Comparison with Focused Docking
Internet Tools of the Profession: A Guide for Information Professionals. Edited Hope N. Tillman. 2nd ed. Special Libraries Association: Washington, DC, 1997, 249 pp. ISBN 0-87111-467-4
Coding of relational descriptions of molecular structures
Combinatorial QSAR Modeling of P-Glycoprotein Substrates
Computer-Assisted Reaction Searching Directed toward the Synthesis of Target Molecules
Chemical inference. 2. Formalization of the language of organic chemistry: generic systematic nomenclature
AggBERT: Best in Class Prediction of Hexapeptide Amyloidogenesis with a Semi-Supervised ProtBERT Model
A least-squares digital filter for repetitive data acquistion
Efficient a Priori Identification of Drug Resistant Mutations Using Dead-End Elimination and MM-PBSA
Exploring DrugBank in Virtual Reality Chemical Space
Large-Rank Approximate Principal Component Analysis with Wavelets for Signal Feature Discrimination and the Inversion of Complicated Maps
Computational Prediction of a Putative Binding Site on Drp1: Implications for Antiparkinsonian Therapy
Computational Prediction of Mutational Effects on SARS-CoV-2 Binding by Relative Free Energy Calculations
Benchmark on Indexing Algorithms for Accelerating Molecular Similarity Search
Ab Initio Structure of the Active Site of Phosphotriesterase
Impact of Nonnative Interactions on the Binding Kinetics of Intrinsically Disordered p53 with MDM2: Insights from All-Atom Simulation and Markov State Model Analysis
Using Membrane Partitioning Simulations To Predict Permeability of Forty-Nine Drug-Like Molecules
On the Relation between the Path Numbers 1Z, 2Z and the Hosoya Z Index
Exploring the Pyrazinamide Drug Resistance Mechanism of Clinical Mutants T370P and W403G in Ribosomal Protein S1 ofMycobacterium tuberculosis
BiRDS - Binding Residue Detection from Protein Sequences Using Deep ResNets
Experimental and Computational Druggability Exploration of the 14-3-3ζ/SOS1pS1161 PPI Interface
Molecular complexity: a simplified formula adapted to individual atoms
AACDR: Integrating Graph Isomorphism Networks and Asymmetric Adversarial Domain Adaptation for Cancer Drug Response Prediction
Enabling High-Throughput Searches for Multiple Chemical Data Using the U.S.-EPA CompTox Chemicals Dashboard
Global Energy Minimization of Small Molecules Combining Constraint Logic Programming and Molecular Mechanics
Relevance Vector Machines: Sparse Classification Methods for QSAR
Rapid Context-Dependent Ligand Desolvation in Molecular Docking
QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem
Aromatic Character of the Benzene Ring Present in Various Topological Environments in Benzenoid Hydrocarbons. Nonequivalence of Indices of Aromaticity
XyM Notation for Electronic Communication of Organic Chemical Structures
A Pharmacophore Map of Small Molecule Protein Kinase Inhibitors
Machine Learning Models for Predicting Zirconocene Properties and Barriers
An Analysis of the Conserved Residues between Halobacterial Retinal Proteins and G-Protein Coupled Receptors: Implications for GPCR Modeling
WURCS: The Web3 Unique Representation of Carbohydrate Structures
Fully Automated Creation of Virtual Chemical Fragment Spaces Using the Open-Source Library OpenChemLib
NMR Spectroscopy-Based Metabolic Profiling of Drug-Induced Changes In Vitro Can Discriminate between Pharmacological Classes
Holistic Approach to Partial Covalent Interactions in Protein Structure Prediction and Design with Rosetta
Kinase-Kernel Models: Accurate In silico Screening of 4 Million Compounds Across the Entire Human Kinome
A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules
A Linear Semi-infinite Programming Strategy for Constructing Optimal Wavelet Transforms in Multivariate Calibration Problems
Search for useful graph theoretical invariants of molecular structure
Cheminformatic Analysis of Antimalarial Chemical Space Illuminates Therapeutic Mechanisms and Offers Strategies for Therapy Development
Orthosimilarity
Epitope Identification of an mGlu5 Receptor Nanobody Using Physics-Based Molecular Modeling and Deep Learning Techniques
Targeting the Major Groove of the Palindromic d(GGCGCC) 2 Sequence by Oligopeptide Derivatives of Anthraquinone Intercalators
Elucidating Substrate Promiscuity in the Human Cytochrome 3A4
Electronic Structure Investigation and Parametrization of Biologically Relevant Iron-Sulfur Clusters
Molecular Dynamics Simulation and Binding Energy Calculation for Estimation of Oligonucleotide Duplex Thermostability in RNA-Based Therapeutics
Applications of a HOUDINI-Based Structure Elucidation System
Predicting Activation Enthalpies of Cytochrome-P450-Mediated Hydrogen Abstractions. 2. Comparison of Semiempirical PM3, SAM1, and AM1 with a Density Functional Theory Method
The Signature Molecular Descriptor. 2. Enumerating Molecules from Their Extended Valence Sequences
Graph-based Automated Macro-Molecule Assembly
Molecular Dynamics Simulations of Adsorption of SARS-CoV-2 Spike Protein on Polystyrene Surface
Are Automated Molecular Dynamics Simulations and Binding Free Energy Calculations Realistic Tools in Lead Optimization? An Evaluation of the Linear Interaction Energy (LIE) Method
Sticky Salts: Overbinding of Monovalent Cations to Phosphorylations in All-Atom Force Fields
Drug and Drug Candidate Building Block Analysis
Wiener Matrix Invariants
Molecular Dynamics Simulations of KirBac1.1 Mutants Reveal Global Gating Changes of Kir Channels
The Transition from Academia: Overcoming the Barrier to a Career in the Drug Discovery Industry
SHIFT-DRP: Dynamic Multi-Scale Active Learning for Drug Response Prediction
Investigations of Enzyme-Catalyzed Reactions Based on Physicochemical Descriptors Applied to Hydrolases
Fully Flexible Docking via Reaction-Coordinate-Independent Molecular Dynamics Simulations
Comparative QSAR Edited by James Devillers. Taylor & Francis, Washington, DC, 1998, ix + 371 pp. ISBN 1-56032-716-2
Capturing the Effects of Explicit Waters in Implicit Electrostatics Modeling: Qualitative Justification of Gaussian-Based Dielectric Models in DelPhi
Comparison of Implicit and Explicit Solvation Models for Iota -Cyclodextrin Conformation Analysis from Replica Exchange Molecular Dynamics
Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search
Identification of Novel Inhibitors of Mycobacterium tuberculosis PknG Using Pharmacophore Based Virtual Screening, Docking, Molecular Dynamics Simulation, and Their Biological Evaluation
Fast and Efficient in Silico 3D Screening: Toward Maximum Computational Efficiency of Pharmacophore-Based and Shape-Based Approaches
Improving Crystal Property Prediction from a Multiplex Graph Perspective
GTP Cyclohydrolase I as a Potential Drug Target: New Insights into Its Allosteric Modulation via Normal Mode Analysis
Adobe Acrobat 8: Classroom in a Book By the Adobe Creative Team. Adobe Press. 2006. xii + 514 pp, CD-ROM. ISBN 0-321-47085-0, 978-0-321-47085-0. Softcover U.S. $45.00
Simulation-Guided Molecular Modeling of Nisin and Lipid II Assembly and Membrane Pore Formation
Annual Report of the ACS Committee on Nomenclature for 1976
Consensus Scoring Approach To Identify the Inhibitors of AMP-Activated Protein Kinase α2 with Virtual Screening
Application of Direct Phasing Methods for Crystal Structure Analysis Using PCs. 2. Automation of the Symbolic-Addition Method
Designing a Novel Ultrashort Cyclic [R 3 W 4 V] Antimicrobial Peptide with Superior Antimicrobial Potential Based on the Transmembrane Structure to Facilitate Pore Formation
Mapping of the Lipid-Binding Regions of the Antifungal Protein NFAP2 by Exploiting Model Membranes
Covalent Adducts Formed by the Androgen Receptor Transactivation Domain and Small Molecule Drugs Remain Disordered
Molecular Information of Charybdotoxin Blockade in the Large Conductance Calcium-activated Potassium Channel
Computational Investigation of Site-Specific Doping Effects on Electronic Structure, Electrochemical Performance, Lithium-Ion Diffusion, and Transport in Li 2 GeO 3 Anode
Screening Explorer-An Interactive Tool for the Analysis of Screening Results
Functional Drift of Sequence Attributes in the FK506-Binding Proteins (FKBPs)
Perturbation-Theory and Machine Learning (PTML) Model for High-Throughput Screening of Parham Reactions: Experimental and Theoretical Studies
Property Prediction and Structural Feature Extraction of Polyimide Materials Based on Machine Learning