The structure of the complex bis (o vanillin) di pyridine nickel(Ⅱ) ([Ni(C 8H 7O 3) 2(C 5H 5N) 2]·2H 2O·C 5H 5N, M r =634.31) has been synthesized and determined by X ray analysis. The crystal data are as f...The structure of the complex bis (o vanillin) di pyridine nickel(Ⅱ) ([Ni(C 8H 7O 3) 2(C 5H 5N) 2]·2H 2O·C 5H 5N, M r =634.31) has been synthesized and determined by X ray analysis. The crystal data are as follows: Monoclinic, P2 1/n, a=12.273(1), b=17.470(1), c=14.731(1), β=98.45(1)°, V=3125.8(3) 3, Z=4, D c =1.34mg·m -3 , μ= 0\^674mm -1 , F (000)=1328, final R=0.0428, R w =0.1228 for 4528 observable reflections with I≥2σ(I ). The Nickel(Ⅱ) atom in the complex has a slightly distorted octahedral coordination geometry and is six coordinated by four O atoms from two O Vanillin ligands and two N atoms from two pyridines. In the crystal, the Ni(Ⅱ) complex and water molecules are linked through a network of hydrogen bonds.展开更多
In this letter, the functional-link network (FLN), one of the latest model of neuralnetworks, was used to carry out a detailed QSAR analysis on the series compounds ofO-ethyl-O-aryl-N-isopropyl-phosphoramidothioates w...In this letter, the functional-link network (FLN), one of the latest model of neuralnetworks, was used to carry out a detailed QSAR analysis on the series compounds ofO-ethyl-O-aryl-N-isopropyl-phosphoramidothioates which have high herbicidal activity. FLNis a 2-layer network with simplified structure and has extremely quickened convergence withperfect performance of both fitting and predicting due to the appropriately enhanced展开更多
O-ethyl-O-aryl-N-isopropyl-phosphoramidothioates have relatively high herbicidal ac-tivity. The exact and comprehensive QSAN study is the key to finding new compoundswith high activity. Artificial neural networks (ANN...O-ethyl-O-aryl-N-isopropyl-phosphoramidothioates have relatively high herbicidal ac-tivity. The exact and comprehensive QSAN study is the key to finding new compoundswith high activity. Artificial neural networks (ANNs) are a newly emerging field ofinformation processing technology. As ANNs can be taught complex nonlinearinput-output transformations and have the ability of adaptive learning, resistance tonoise and fault tolerance, they can solve the pattern recognition and funtionalmapping problems.展开更多
文摘The structure of the complex bis (o vanillin) di pyridine nickel(Ⅱ) ([Ni(C 8H 7O 3) 2(C 5H 5N) 2]·2H 2O·C 5H 5N, M r =634.31) has been synthesized and determined by X ray analysis. The crystal data are as follows: Monoclinic, P2 1/n, a=12.273(1), b=17.470(1), c=14.731(1), β=98.45(1)°, V=3125.8(3) 3, Z=4, D c =1.34mg·m -3 , μ= 0\^674mm -1 , F (000)=1328, final R=0.0428, R w =0.1228 for 4528 observable reflections with I≥2σ(I ). The Nickel(Ⅱ) atom in the complex has a slightly distorted octahedral coordination geometry and is six coordinated by four O atoms from two O Vanillin ligands and two N atoms from two pyridines. In the crystal, the Ni(Ⅱ) complex and water molecules are linked through a network of hydrogen bonds.
基金Project supported by the National Natural Science Foundation of China.
文摘In this letter, the functional-link network (FLN), one of the latest model of neuralnetworks, was used to carry out a detailed QSAR analysis on the series compounds ofO-ethyl-O-aryl-N-isopropyl-phosphoramidothioates which have high herbicidal activity. FLNis a 2-layer network with simplified structure and has extremely quickened convergence withperfect performance of both fitting and predicting due to the appropriately enhanced
文摘O-ethyl-O-aryl-N-isopropyl-phosphoramidothioates have relatively high herbicidal ac-tivity. The exact and comprehensive QSAN study is the key to finding new compoundswith high activity. Artificial neural networks (ANNs) are a newly emerging field ofinformation processing technology. As ANNs can be taught complex nonlinearinput-output transformations and have the ability of adaptive learning, resistance tonoise and fault tolerance, they can solve the pattern recognition and funtionalmapping problems.
