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Stochastic Generator of Chemical Structure. 2. Using Simulated Annealing To Search the Space of Constitutional Isomers
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Thermochemistry of organic and organometallic compounds
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Fast evaluation of chemical distance by a simulated-annealing algorithm
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Stochastic Generator of Chemical Structure. 1. Application to the Structure Elucidation of Large Molecules
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Evolutionary Design of Molecules with Desired Properties Using the Genetic Algorithm
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Using a Genetic Algorithm To Suggest Combinatorial Libraries
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Use of molecular modeling as a tool to evaluate thermodynamic stability of alkylated polycyclic aromatic hydrocarbons
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Pyrolysis of acetylene: a thermal source of vinylidene
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Correlation of Heats of Isomerization, and Differences in Heats of Vaporization of Isomers, Among the Paraffin Hydrocarbons
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Equation of State Calculations by Fast Computing Machines
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Optimization by Simulated Annealing
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Bone Cell Differentiation and Growth Factors
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Topological Structure Generators
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Tutorial for the structure elucidation of small molecules by means of the LSD software
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Towards the Revival of Interpretable QSAR Models
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Reverse engineering chemical structures from molecular descriptors: how many solutions?
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Can topological indices transmit information on properties but not on structures?
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Ring system-based chemical graph generation for de novo molecular design
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The signature molecular descriptor
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SENECA: A Platform-Independent, Distributed, and Parallel System for Computer-Assisted Structure Elucidation in Organic Chemistry
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Improved Inheritance Algorithm for the Assembly of Coal Fragments
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Solubility of Organic Compounds in Water/Octanol Systems. A Expanded Ensemble Molecular Dynamics Simulation Study of logPParameters
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CASE Expert Systems Based on 1D NMR Spectra
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An Evaluation of the Performance of the Structure Elucidator System
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Búsqueda estocástica de isómeros restringidos espacialmente
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Analyse structurale automatique des petites molécules organiques
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