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Structure elucidation system using structural information from multisources: CHEMICS

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Molecular Structure Elucidation Using Ant Colony Optimization: A Preliminary Study
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Indices for the evaluation of neural network performance as classifier: Application to structural elucidation in infrared spectroscopy
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Ring system-based chemical graph generation for de novo molecular design
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Integrated approach for 13C nuclear magnetic resonance shift prediction, spectral simulation and library search
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References
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PASEOS: Organic structure elucidation system for expert chemists
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Fuzzy Logic in Computer-Aided Structure Elucidation**Present address: Sadtler Division BIO-RAD, 3316 Spring Garden Street, Philadelphia, PA 19104-2596.
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Artificial intelligence in chemistry
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Studies of correlations between substructures and 13c-nmr chemical shifts for automated interpretation of structure
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Automatic Analysis of NMR Spectra
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Chapter 5 Thermodynamic Properties of Asphaltenes: A Predictive Approach Based on Computer Assisted Structure Elucidation and Atomistic Simulations
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Computer-assisted structure elucidation. Part II: Indirect database approaches and established systems
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COMPUTER-ASSISTED STRUCTURE ELUCIDATION
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Automated spectral interpretation
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Fully Automated Structure ElucidationA Spectroscopist's Dream Comes True
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A Massively Parallel Expert System Architecture for Chemical Structure Analysis
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An expert system for chemical structure elucidation implemented on a blackboard
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Computer-Assisted Applications and Information Needs for the Practicing Chemist
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Emprego de computadores em elucidação estrutural de alcalóides
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Probabilistic Modelling of Liquid Chromatography Time-of-Flight Mass Spectrometry
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