A quantative relationship exists between the structrue and physical properties of organic compounds.The molecular structrue of the examined compounds is selectively described by a molecular distance-edge（MDE）vector....A quantative relationship exists between the structrue and physical properties of organic compounds.The molecular structrue of the examined compounds is selectively described by a molecular distance-edge（MDE）vector.The physical properties of alkanes such as boiling points,density at 25℃,refractive index at 25℃, heat capacity at 300K,Gibbs energy,enthalpy at 300K are estimated with satisfactory results by a novel modified back- propagation neural network method based on the above MDEvectot.展开更多
文摘A quantative relationship exists between the structrue and physical properties of organic compounds.The molecular structrue of the examined compounds is selectively described by a molecular distance-edge（MDE）vector.The physical properties of alkanes such as boiling points,density at 25℃,refractive index at 25℃, heat capacity at 300K,Gibbs energy,enthalpy at 300K are estimated with satisfactory results by a novel modified back- propagation neural network method based on the above MDEvectot.
