A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. Th...A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. The data set contained non-polar and polar liquids, and saturated and unsaturated compounds. The regression analysis shows that excellent result is obtained with multiple linear regression. The predictive power of the proposed model was discussed using the leave-one-out （LOO） cross-validated （CV） method. The correlation coefficient （R） and the leave-one-out cross-validation correlation coefficient （Rcv） of multiple linear regression model are 0.991 4 and 0.991 3, respectively. The new model gives the average absolute relative deviation of 1.81% for 92 substances. The result demonstrates that novel topological indices based on the equilibrium electro-negativity of atom and the relative bond length are useful model parameters for QSPR analysis of compounds.展开更多
A quantitative structure-spectrum relationship (QSSR) model was developed to simulate 13C nuclear magnetic resonance (NMR) spectra of carbinol carbon atoms for 55 alcohols. The proposed model,using multiple linear reg...A quantitative structure-spectrum relationship (QSSR) model was developed to simulate 13C nuclear magnetic resonance (NMR) spectra of carbinol carbon atoms for 55 alcohols. The proposed model,using multiple linear regression,contained four descriptors solely extracted from the molecular structure of compounds. The statistical results of the final model show that R2= 0.982 4 and S=0.869 8 (where R is the correlation coefficient and S is the standard deviation). To test its predictive ability,the model was further used to predict the 13C NMR spectra of the carbinol carbon atoms of other nine compounds which were not included in the developed model. The average relative errors are 0.94% and 1.70%,respectively,for the training set and the predictive set. The model is statistically significant and shows good stability for data variation as tested by the leave-one-out (LOO) cross-validation. The comparison with other approaches also reveals good performance of this method.展开更多
The present paper provided length-weight relationship(LWR)and length-length(LLR)relationship for the nine freshwater species from Huaihongxinhe River,a tributary of Huaihe River in east China.The data was based on mon...The present paper provided length-weight relationship(LWR)and length-length(LLR)relationship for the nine freshwater species from Huaihongxinhe River,a tributary of Huaihe River in east China.The data was based on monthly sampling(from August 2016 to December 2016)of the nine fish species.Samples were obtained using barrier net,gill net and ground cage in Huaihongxinhe River.The log-transformed data were used to establish the standard length-body weight and standard length-total length relationships by linear regression analyses.This study would be useful for fishery management and conversation in Huaihe River Basin.展开更多
In order to deal with the complex association relationships between classes in an object-oriented software system,a novel approach for identifying refactoring opportunities is proposed.The approach can be used to dete...In order to deal with the complex association relationships between classes in an object-oriented software system,a novel approach for identifying refactoring opportunities is proposed.The approach can be used to detect complex and duplicated many-to-many association relationships in source code,and to provide guidance for further refactoring.In the approach,source code is first transformed to an abstract syntax tree from which all data members of each class are extracted,then each class is characterized in connection with a set of association classes saving its data members.Next,classes in common associations are obtained by comparing different association classes sets in integrated analysis.Finally,on condition of pre-defined thresholds,all class sets in candidate for refactoring and their common association classes are saved and exported.This approach is tested on 4 projects.The results show that the precision is over 96%when the threshold is 3,and 100%when the threshold is 4.Meanwhile,this approach has good execution efficiency as the execution time taken for a project with more than 500 classes is less than 4 s,which also indicates that it can be applied to projects of different scales to identify their refactoring opportunities effectively.展开更多
We report in this paper primary studies on interspecific species of cotton vis GISH(genomic in situ hybridization).We use interspecific triploid hybrids(F1 from hybridization of allotetraploid cultivated species with ...We report in this paper primary studies on interspecific species of cotton vis GISH(genomic in situ hybridization).We use interspecific triploid hybrids(F1 from hybridization of allotetraploid cultivated species with diploid A,D,or C genome species) and two cultivated tetraploids to study展开更多
Precisely quantifying the strength of the proximal femur and accurately assessing hip fracture risk would enable those at high risk to be identified so that preventive interventions could be taken.Development of bette...Precisely quantifying the strength of the proximal femur and accurately assessing hip fracture risk would enable those at high risk to be identified so that preventive interventions could be taken.Development of better measures of femoral strength using the clinically展开更多
The author discusses the subject in both ecological and political perspectives based on a most comprehensive,authoritative and updated bibliography.Hence,Latin America and the Caribbean(LAC) is as much diversified as ...The author discusses the subject in both ecological and political perspectives based on a most comprehensive,authoritative and updated bibliography.Hence,Latin America and the Caribbean(LAC) is as much diversified as there are sub-regions and regional organizations in geopolitical and geo-economical terms and often dialectic regarding energy security,climate change and LAC ties with Europeans and China and so is the tripartite relations with the rest of the world so far as energy security and climate cha...展开更多
基金Projects(20775010,21075011) supported by the National Natural Science Foundation of ChinaProject(2008AA05Z405) supported by the National High Technology Research and Development Program of China+2 种基金Project(09JJ3016) supported by Hunan Provincial Natural Science Foundation,ChinaProject(09C066) supported by Scientific Research Fund of Hunan Provincial Education Department,ChinaProject(2010CL01) supported by the Foundation of Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation,China
文摘A novel quantitative structure-property relationship （QSPR） model for estimating the solution surface tension of 92 organic compounds at 20℃ was developed based on newly introduced atom-type topological indices. The data set contained non-polar and polar liquids, and saturated and unsaturated compounds. The regression analysis shows that excellent result is obtained with multiple linear regression. The predictive power of the proposed model was discussed using the leave-one-out （LOO） cross-validated （CV） method. The correlation coefficient （R） and the leave-one-out cross-validation correlation coefficient （Rcv） of multiple linear regression model are 0.991 4 and 0.991 3, respectively. The new model gives the average absolute relative deviation of 1.81% for 92 substances. The result demonstrates that novel topological indices based on the equilibrium electro-negativity of atom and the relative bond length are useful model parameters for QSPR analysis of compounds.
基金Projects(20775010, 21075011) supported by the National Natural Science Foundation of ChinaProject(2008AA05Z405) supported by the National High-tech Research and Development Program of China+2 种基金Project(09JJ3016) supported by the Natural Science Foundation of Hunan Province, ChinaProject(09C066) supported by the Scientific Research Fund of Hunan Provincial Education Department, ChinaProject(2010CL01) supported by the Foundation of Hunan Provincial Key Laboratory of Materials Protection for Electric Power and Transportation, China
文摘A quantitative structure-spectrum relationship (QSSR) model was developed to simulate 13C nuclear magnetic resonance (NMR) spectra of carbinol carbon atoms for 55 alcohols. The proposed model,using multiple linear regression,contained four descriptors solely extracted from the molecular structure of compounds. The statistical results of the final model show that R2= 0.982 4 and S=0.869 8 (where R is the correlation coefficient and S is the standard deviation). To test its predictive ability,the model was further used to predict the 13C NMR spectra of the carbinol carbon atoms of other nine compounds which were not included in the developed model. The average relative errors are 0.94% and 1.70%,respectively,for the training set and the predictive set. The model is statistically significant and shows good stability for data variation as tested by the leave-one-out (LOO) cross-validation. The comparison with other approaches also reveals good performance of this method.
基金Supported by Key R&D Program of Anhui Province(1804a07020144)Program of Introducing and Stabling Talents in Anhui Agricultural University(yj2017-25)。
文摘The present paper provided length-weight relationship(LWR)and length-length(LLR)relationship for the nine freshwater species from Huaihongxinhe River,a tributary of Huaihe River in east China.The data was based on monthly sampling(from August 2016 to December 2016)of the nine fish species.Samples were obtained using barrier net,gill net and ground cage in Huaihongxinhe River.The log-transformed data were used to establish the standard length-body weight and standard length-total length relationships by linear regression analyses.This study would be useful for fishery management and conversation in Huaihe River Basin.
文摘In order to deal with the complex association relationships between classes in an object-oriented software system,a novel approach for identifying refactoring opportunities is proposed.The approach can be used to detect complex and duplicated many-to-many association relationships in source code,and to provide guidance for further refactoring.In the approach,source code is first transformed to an abstract syntax tree from which all data members of each class are extracted,then each class is characterized in connection with a set of association classes saving its data members.Next,classes in common associations are obtained by comparing different association classes sets in integrated analysis.Finally,on condition of pre-defined thresholds,all class sets in candidate for refactoring and their common association classes are saved and exported.This approach is tested on 4 projects.The results show that the precision is over 96%when the threshold is 3,and 100%when the threshold is 4.Meanwhile,this approach has good execution efficiency as the execution time taken for a project with more than 500 classes is less than 4 s,which also indicates that it can be applied to projects of different scales to identify their refactoring opportunities effectively.
文摘We report in this paper primary studies on interspecific species of cotton vis GISH(genomic in situ hybridization).We use interspecific triploid hybrids(F1 from hybridization of allotetraploid cultivated species with diploid A,D,or C genome species) and two cultivated tetraploids to study
基金supported by The HongKong Polytechnic University Research Grants(No.1-BB81)grants from National Natural Science Foundation of China,Nos.10872078 and 10832012
文摘Precisely quantifying the strength of the proximal femur and accurately assessing hip fracture risk would enable those at high risk to be identified so that preventive interventions could be taken.Development of better measures of femoral strength using the clinically
文摘The author discusses the subject in both ecological and political perspectives based on a most comprehensive,authoritative and updated bibliography.Hence,Latin America and the Caribbean(LAC) is as much diversified as there are sub-regions and regional organizations in geopolitical and geo-economical terms and often dialectic regarding energy security,climate change and LAC ties with Europeans and China and so is the tripartite relations with the rest of the world so far as energy security and climate cha...
