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Evolutionary-Algorithm-Based Strategy for Computer-Assisted Structure Elucidation
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/anie.199619841openalex-snapshot
LUCY—A Program for Structure Elucidation from NMR Correlation Experiments
inferredcites →https://doi.org/10.1002/anie.199619861openalex-snapshot
An Unusually Stable Pentaethynylcyclo‐pentadienyl Radical
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Hose — a novel substructure code
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An introduction to genetic algorithms
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Using a Genetic Algorithm To Suggest Combinatorial Libraries
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SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry
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SMILES. 2. Algorithm for generation of unique SMILES notation
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Computer translation of IUPAC systematic organic chemical nomenclature. 1. Introduction and background to a grammar-based approach
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Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks
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Stochastic Generator of Chemical Structure. 2. Using Simulated Annealing To Search the Space of Constitutional Isomers
inferredcites →https://doi.org/10.1021/ci970433uopenalex-snapshot
Genetic Algorithms in Conformational Analysis
inferredcites →https://doi.org/10.1021/ci980083ropenalex-snapshot
Computer-Based Structure Determination: Then and Now
inferredcites →https://doi.org/10.1021/ci980209kopenalex-snapshot
Parametric Sensitivity and Search-Space Characterization Studies of Genetic Algorithms for Computer-Aided Polymer Design
inferredcites →https://doi.org/10.1021/ja00010a018openalex-snapshot
The role of two-dimensional nuclear magnetic resonance spectroscopy in computer-enhanced structure elucidation
inferredcites →https://doi.org/10.1021/ja00010a019openalex-snapshot
Structure elucidation of a novel antibiotic of the vancomycin group. The influence of ion-dipole interactions on peptide backbone conformation
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Genius: A Genetic Algorithm for Automated Structure Elucidation from 13C NMR Spectra
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Application of a New Expert System for the Structure Elucidation of Natural Products from Their 1D and 2D NMR Data
inferredcites →https://doi.org/10.1023/a:1008108423895openalex-snapshot
A genetic algorithm for the automated generation of small organic molecules: Drug design using an evolutionary algorithm
inferredcites →https://doi.org/10.1039/a804433copenalex-snapshot
Computer assisted structure elucidation of natural products using two-dimensional NMR spectroscopy†
inferredcites →https://doi.org/10.1088/0957-4484/10/3/312openalex-snapshot
Automatic molecular design using evolutionary techniques
inferredcites →https://doi.org/10.1517/13543776.8.11.1447openalex-snapshot
Genetic diversity: applications of evolutionary algorithms to combinatorial library design
inferredcites →https://doi.org/10.5860/choice.27-0936openalex-snapshot
Genetic algorithms in search, optimization, and machine learning
inferredcites →https://doi.org/10.7551/mitpress/3927.001.0001openalex-snapshot
An Introduction to Genetic Algorithms
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Automated Interpretation of NMR Spectra for Small Organic Molecules in Solution
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Applications of15N NMR Spectroscopy in Alkaloid Chemistry
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A knowledge‐based approach for screening chemical structures within de novo molecular evolution
inferred← citeshttps://doi.org/10.1002/chin.200425224openalex-snapshot
Evolutionary‐Algorithm‐Based Strategy for Computer‐Assisted Structure Elucidation.
inferred← citeshttps://doi.org/10.1007/s12127-015-0175-yopenalex-snapshot
Towards unsupervised polyaromatic hydrocarbons structural assignment from SA-TIMS –FTMS data
inferred← citeshttps://doi.org/10.1016/j.pnmrs.2007.04.003openalex-snapshot
Computer-assisted structure verification and elucidation tools in NMR-based structure elucidation
inferred← citeshttps://doi.org/10.1021/ja300865uopenalex-snapshot
An Evolutionary Algorithm for de Novo Optimization of Functional Transition Metal Compounds
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General Principles of CASE Systems
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CASE 2D NMR-based Expert Systems
inferred← citeshttps://doi.org/10.1039/b400678jopenalex-snapshot
Recent developments in automated structure elucidation of natural products
inferred← citeshttps://doi.org/10.1039/c002332aopenalex-snapshot
Structural revisions of natural products by Computer-Assisted Structure Elucidation (CASE) systems
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Bioclipse 2: A scriptable integration platform for the life sciences
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Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking
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A transformer based generative chemical language AI model for structural elucidation of organic compounds
inferred← citeshttps://doi.org/10.26434/chemrxiv-2024-1r9tbopenalex-snapshot
(Semi-) Automatic Review Process for Common Compound Characterization Data in Organic Synthesis
inferred← citeshttps://doi.org/10.3390/math13101580openalex-snapshot
Tackling Blind Spot Challenges in Metaheuristics Algorithms Through Exploration and Exploitation
inferred← citeshttps://doi.org/10.3390/md21050308openalex-snapshot
Advanced Methods for Natural Products Discovery: Bioactivity Screening, Dereplication, Metabolomics Profiling, Genomic Sequencing, Databases and Informatic Tools, and Structure Elucidation
inferred← citeshttps://doi.org/10.3390/molecules26164846openalex-snapshot
Incorporation of 4J-HMBC and NOE Data into Computer-Assisted Structure Elucidation with WebCocon
inferred← citeshttps://doi.org/10.3390/molecules26247543openalex-snapshot
Sampling CASE Application for the Quality Control of Published Natural Product Structures
inferred← citeshttps://doi.org/10.70675/00fb5022z52acz4bdez9c97z21df32070616openalex-snapshot
Toxoplasma gondii : identification par docking inverse sur des cibles moléculaires de composés actifs issus de ressources naturelles
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Développements informatiques de déréplication et de classification de données spectroscopiques pour le profilage métabolique d’extraits d'algues
inferred← citeshttps://doi.org/10.70675/95e970f3z6758z4c72zbc41z733e9a10dbd2openalex-snapshot
Analyse structurale automatique des petites molécules organiques
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