59 research outputs found
Interpreting Computational Neural Network QSAR Models:Â A Measure of Descriptor Importance
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Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques
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A simple method for the representation, quantification, and comparison of the volumes and shapes of chemical compounds
No full textCluster analysis of acrylates to guide sampling for toxicity testing [Erratum to document cited in CA112(23):212044y]
No full textEstimation of autoignition temperatures of hydrocarbons, alcohols, and esters from molecular structure
No full textNeural Network Classification and Quantification of Organic Vapors Based on Fluorescence Data from a Fiber-Optic Sensor Array
No full textComputer-assisted study of the relationship between molecular structure and surface tension of organic compounds
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