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523篇 您的检索式：作者名="SharmaN"

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	题名	作者	年代	出处	被引量
1	A neural network protocol for predicting molecular bond energy显示文摘Molecular bond energy is a key parameter for analyzing the properties of chemical activity,stability and flexibility.Calculating bond energy is a challenge due to the cost of first-principles simulations and unsatisfactory prediction using empirical formula.Here we show that a neural network(NN)machine-learning method can achieve quick prediction of bond energies of organic molecules.Using atomic species and charge information as descriptors,we trained a NN protocol and applied it to predict the bond energy in a certain chemical bond that agreed with density functional theory calculations.This protocol also provided a way to evaluate the effects of different methods of atomic charge analysis on NN training.Trained to accurately estimate bond energies,this NN protocol provides a cost-effective tool for optimizing chemical reactions,accelerating molecular design,and other important applications.	Chao Feng Edward Sharman Sheng Ye Yi Luo Jun Jiang	2019	Science China Chemistry2019，62，12：	3
2	Dietary melatonin selectively reverses age-related changes in cortical cytokine mRNA levels,and their responses to an inflammatory stimulus显示文摘	Sharman KG Sharman EH Yang E Bondy SC	2002	Neurobiol Aging2002，23，4：	2
3	Multiresidue determination of triarylmethane and phenothiazine dyes in fish tissues by LC–MS/MS显示文摘	Jonathan A. Tarbin Danny Chan George Stubbings Matthew Sharman	2008	Analytica Chimica Acta2008，，2：	2
4	Chinese capital flows and offshore financial centers显示文摘	J.C. Sharman	2012	The Pacific Review2012，，3：	2
5	Antecedents of organizational slack 显示文摘	Sharman M P Wolf G Chase R B	1988	Academy of Management Review1988，13，4：	1
6	Collaboration in Local Tourism Policy Making显示文摘	Bill Bramwell Angela Sharman	1999	Annals of Tourism Research1999，，2：	1
7	Photodynamic therapeutics:basic principles and clinical applications显示文摘	Allen CM Van Lier JE	1999	Drug Discovery Today1999，4，：	1
8	显示文摘	Sharman D	2003	Diabetic Foot2003，6，3：	1
9	The effects of direct electric current on the viability and metabolism of acidophilic bacteria 显示文摘	JACKMAN S A GIACOMO M SHARMAN A	1999	Enzyme Microbial Technology1999，24，1：	1
10	Intradialytic versus home- based exercise training in hemodialysis patients : a randomised con- trolled trial显示文摘	Koh KP Fassett RG Sharman JE	2009	BMC Nephrol2009，10，2：	1
11	Bruton tyrosine kinase inhibitor ibrutinib(PCI-32765)has significant activity in patients with relapsed/refractory B-cell malignancies显示文摘	Advani RH Buggy JJ Sharman JP	2013	J Clin Oncol2013，31，：	1
12	Determinants of exercise capacity in patients with type 2 diabetes 显示文摘	Fang Z Y Sharman J Prins J B	2005	DiabetesCare2005，28，：	1
13	The case for management accounting 显示文摘	SHARMAN P	2003	Management Account2003，，10：	1
14	Melatonin treatment in old mice enables a more youthful response to LPS in the brain显示文摘	Perreau VM Bondy SC Cotman CW Sharman KG Sharman EH	2007	J Neuroimmunol2007，182，12：	1
15	Collaboration in Local Tourism Policymaking 显示文摘	Bramwell B Sharman A	1999	Annals of Tourism research1999，26，2：	1
16	IU- PHAR-DB : new receptors and tools for easy searching and visual- ization of pharmacological data 显示文摘	SHARMAN JL MPAMHANGA CP SPEDDING M	2011	Nucleic Acids Res2011，39，：	1
17	Eigenfilter approaches to adaptive array processing 显示文摘	DURRANI T S SHARMAN K C	1983	IEEE Proc Pt F1983，130，1：	1
18	Estimation of fetal weight with the use of head, body, and femur measurements-a prospective study 显示文摘	HADLOCK F P HARRIST R B SHARMAN R S	1985	Am J Obstet Gynecol1985，，151：	1
19	Complications of pediatric cataract surgery and intraocular lens implantation 显示文摘	SharmaN Pushker N DadaT	1999	Cataract Refract Surg1999，25，12：	1
20	Photodynamic therapeutics: basic principles and clinical applications 显示文摘	SHARMAN WM ALLEN CM VAN LIER JE	1999	Drug Discovery Today1999，4，11：	1

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