QSAR Research on Flotation Selectivity of Hydroximic Acid Collectors

doi:10.12068/j.issn.1005-3026.2016.08.027

Journal of Northeastern University Natural Science ›› 2016, Vol. 37 ›› Issue (8): 1198-1202.DOI: 10.12068/j.issn.1005-3026.2016.08.027

• Resources & Civil Engineering • Previous Articles Next Articles

QSAR Research on Flotation Selectivity of Hydroximic Acid Collectors

TAN Xin¹， SHANG Yan-bo²， HE Fa-yu³， LIU Long-li²

1. School of Resources & Civil Engineering，Northeastern University， Shenyang 110819， China; 2. State Key Laboratory of Mineral Processing， Beijing General Research Institute of Mining & Metallurgy， Beijing 102628， China; 3. China Minmetals Corporation， Beijing 100010， China.

Received:2015-08-31 Revised:2015-08-31 Online:2016-08-15 Published:2016-08-12
Contact: TAN Xin
About author:-
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Abstract

Abstract: Quantitative structure-activity relationships (QSAR) of 13 kinds of hydroximic acid collectors were studied to predict the flotation selectivity of cassiterite flotation separation based on genetic algorithm. Using fast descriptor and quantum chemical descriptor， two kinds of two-parameter models were developed， i.e.， Model 5 for selectivity index 1 and Model 6 for selectivity index 2. The correlative coefficients of Model 5 and Model 6 were 0.868 and 0.796， with R²_cv of 0.779 and 0.590， respectively. For the two models， internal reliability was validated using the leave-one-out approach， with R^○2 =0.785 for Model 5 and R^○2 =0.615 for Model 6， and an external validation was also performed using test sets and the mean absolute deviations were 0.137 and 1.939， respectively. The results show that Model 5 for selectivity index 1 has better predictability， and can effectively predict flotation selectivity of hydroximic acid collectors.

Key words: QSAR, hydroximic acid collector, genetic algorithm, selectivity, descriptor

CLC Number:

TD923

TAN Xin， SHANG Yan-bo， HE Fa-yu， LIU Long-li. QSAR Research on Flotation Selectivity of Hydroximic Acid Collectors[J]. Journal of Northeastern University Natural Science, 2016, 37(8): 1198-1202.

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QSAR Research on Flotation Selectivity of Hydroximic Acid Collectors

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