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Designing Novel Polymers with Targeted Properties Using the Signature Molecular Descriptor
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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A group contribution approach to computer‐aided molecular design
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Design of alternative refrigerants via global optimization
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Orderly algorithms for generating restricted classes of graphs
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Global Optimization in Generalized Geometric Programming
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Molecular design of solvents for liquid extraction based on UNIFAC
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The signature molecular descriptor
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A hybrid global optimization approach for solvent design
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A reduced dimension branch-and-bound algorithm for molecular design
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Global optimization in generalized geometric programming
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Optimization in product design with properties correlated with topological indices
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Computer-aided design of fiber reinforced polymer composite products
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Molecular design synthesis using stochastic optimisation as a tool for scoping and screening
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Fluid dynamic modelling and simulation of circulating fluidized bed reactors: analyses of particle phase stress models
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On using graph-equivalent classes for the structure elucidation of large molecules
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Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)
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A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules
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Determining the Validity of a QSAR Model − A Classification Approach
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Similarity to Molecules in the Training Set Is a Good Discriminator for Prediction Accuracy in QSAR
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A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models
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Simulated Annealing Construction of Molecular Graphs with Required Properties
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Parametric Sensitivity and Search-Space Characterization Studies of Genetic Algorithms for Computer-Aided Polymer Design
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Computer-Aided Synthesis of Polymers and Blends with Target Properties
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Optimal Computer-Aided Molecular Design: A Polymer Design Case Study
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Novel Mathematical Programming Model for Computer Aided Molecular Design
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Optimization in Polymer Design Using Connectivity Indices
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A genetic algorithm for the automated generation of small organic molecules: Drug design using an evolutionary algorithm
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Computer-Aided Design of High Performance Polymers
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Prediction of Polymer Properties
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Inverse‐QSPR for de novo Design: A Review
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Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular design framework
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Expanding Materials Selection Via Transfer Learning for High-Temperature Oxide Selection
inferred← citeshttps://doi.org/10.1016/b978-0-12-394399-6.00016-3openalex-snapshot
From Drug Discovery QSAR to Predictive Materials QSPR
inferred← citeshttps://doi.org/10.1016/b978-0-444-63683-6.00011-3openalex-snapshot
The Signature Molecular Descriptor in Molecular Design
inferred← citeshttps://doi.org/10.1016/j.cherd.2016.10.014openalex-snapshot
Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2009.10.017openalex-snapshot
Computer-aided molecular design using the Signature molecular descriptor: Application to solvent selection
inferred← citeshttps://doi.org/10.1016/j.compchemeng.2020.107005openalex-snapshot
Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions
inferred← citeshttps://doi.org/10.1016/j.corsci.2026.114201openalex-snapshot
Identifying new corrosion inhibitors for steel reinforced concrete using computer aided molecular design with Signatures as molecular descriptors
inferred← citeshttps://doi.org/10.1016/j.polymer.2007.07.048openalex-snapshot
Glass transition temperature prediction of polymers through the mass-per-flexible-bond principle
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Effect of side groups on glass transition temperatures of Poly(ethoxy/phenoxy)phosphazenes: Prediction and synthesis
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Materiomically Designed Polymeric Vehicles for Nucleic Acids: Quo Vadis?
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Lattice Enumeration for Inverse Molecular Design Using the Signature Descriptor
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Branch-and-Bound Algorithms for Enumerating Treelike Chemical Graphs with Given Path Frequency Using Detachment-Cut
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Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
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Automated Generation and Optimal Selection of Biofuel-Gasoline Blends and Their Synthesis Routes
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A Modified Network Component Analysis (NCA) Methodology for the Decomposition of X-ray Scattering Signatures
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Design of fragrant molecules through the incorporation of rough sets into computer-aided molecular design
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Message-passing neural networks for high-throughput polymer screening
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Computer-Aided Molecular Design of Ionic Liquids: An Overview
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NOVEL METHOD FOR MINING QSPR-RELEVANT CONFORMATIONS
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Calculation of Protein-Ligand Binding Affinities
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Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0
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Application of Inverse QSAR/QSPR Analysis for Pesticides Structures Generation
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DFT-based quantum theory QSPR studies of molar heat capacity and molar polarization of vinyl polymers
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Computational modeling to design and analyze synthetic metabolic circuits
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