Pattern Recognition Optimization(PRO)Method for Multiple Targets and Its Application to V-PTC Materials Design

Chem. J. Chinese Universities ›› 1994, Vol. 15 ›› Issue (6): 882.

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Pattern Recognition Optimization(PRO)Method for Multiple Targets and Its Application to V-PTC Materials Design

LU Wen-Cong¹, ZHU Xing-Wen¹, LIU Hong-Lin², CNEN Nian-Yi²

1. Department of Chemistry, Shanghai University of Science and Technology, Shanghai, 201800;
2. Shanghai Insitute of Metallurgy, Academia Sinica, Shanghai

Received:1993-11-09 Online:1994-06-24 Published:1994-06-24

Abstract

Abstract: The computer-aid design of V-PTCmaterials was investigated by pattern recognition optimization(PRO)method for multiple targets.The relationships between the properties and their features of V-PTCmaterials were studied through the principal component analysis.The classification diagrams with the targets including ρ_r, ρ₀/ρ_n and ρ_m/ρ_n were obtained and used to explore the technical conditions and compositions of the samples with better properties.Based on the information provided by PROmethod, a few optimal samples of V-PTCwere synthesized in our laborotary.

Key words: V-PTC materials, Pattern recognition, Comptiter chmistry

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LU Wen-Cong, ZHU Xing-Wen, LIU Hong-Lin, CNEN Nian-Yi. Pattern Recognition Optimization(PRO)Method for Multiple Targets and Its Application to V-PTC Materials Design[J]. Chem. J. Chinese Universities, 1994, 15(6): 882.

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Pattern Recognition Optimization(PRO)Method for Multiple Targets and Its Application to V-PTC Materials Design

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