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	题名	作者	年代	出处	被引量
1	Base control for the tennesse eastman problem显示文摘	MCAVOY T J YE N	1994	Computers Chem Eng1994，18，5：	2
2	Risk and uncertainty in managing chemical manufacturing supply chains显示文摘	Applequist G E Pekny J F Reklaitis G V	2000	Computers & Chem Eng2000，24，27：	2
3	Advanced enterprise resource management systems for the batch industry: The TicTacToe algorithm显示文摘	Badell M Puigjaner L	2001	Computers & Chem Eng2001，25，46：	2
4	Perspectives on model based integration of process operation显示文摘	Bassett M H Dave P Doyle F J III	1996	Computers & Chem Eng1996，20，67：	2
5	Determination of completion times for serial multi-product processes显示文摘	Wiede W J R Kuriyan K Reklatitis G V	1987	Comput Chem Engng1987，11，4：	2
6	Scalable molecular dynamics with NAMD显示文摘	James C.Phillips RosemaryBraun WeiWang JamesGumbart EmadTajkhorshid ElizabethVilla ChristopheChipot Robert D.Skeel LaxmikantKalé KlausSchulten	2005	J Comput Chem2005，，16：	2
7	Molecular similarity based on novel atom-type electrotopological state indices显示文摘	Kier L B Brown B B	1995	J Chem Inf Comput Sci1995，35，6：	1
8	The electrotopological state: structure information at the atomic level for molecular graphs 显示文摘	Hall L H Mohney B Kier L B	1991	J Chem Inf Comput Sci1991，31，1：	1
9	Electrotopological state indices for atomtypes:a novel combination of electronic,topological andvalence state information显示文摘	Hall LH Kier LB	1995	J Chem Inf Comput Sci1995，35，：	1
10	Charge distribution in the water molecule-A comparison of methods 显示文摘	Martin F Zipse H	2005	J Comput Chem2005，26，：	1
11	Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology显示文摘	Huuskonen J	2000	J Chem lnf Comput Sci2000，40，：	1
12	An LP/NLP based branch and bound algorithm for convex MINLP optimization problems显示文摘	Quesada I Grossmann I E	1992	Comput Chem Engng1992，16，：	1
13	Combined MEDV-GA-MLR method for QSAR of three panels of steroids,dipeptides and COX-2 inhibitors显示文摘	Liu S Yin C Wang L	2002	J Chem Inf Comput Sci2002，42，：	1
14	Recovery of carotenoids from palm oil by molecular distillation显示文摘	Batistella C B	1998	Computers Chem Eng1998，，22：	1
15	Detection of potential positive regulatory motifs of transcription in yeast introns by com- parative anylisis of ologonucleotide frequencies 显示文摘	ZHANG J HU J SHI X F	2003	Comput Boil Chem2003，27，45：	1
16	The Laplaeian matrix in chemistry显示文摘	TRINAJSTIC N BABIC D NIKOLI S	1994	J Chem Inf Comput Sei1994，34，2：	1
17	Chemometrical classification of ephrinligands and Eph kinases using GRID/CPCA approach 显示文摘	Myshikin E Wang B	2003	J Chem Inf Comput Sci2003，433，：	1
18	Improved grid‐based algorithm for Bader charge allocation显示文摘	EdwardSanville Steven D.Kenny RogerSmith GraemeHenkelman	2007	J Comput Chem2007，，5：	1
19	Rare variants analysis by riskbased variable-threshold method显示文摘	Fang H Hou B Wang Q	2013	Comput Biol Chem2013，46，：	1
20	A new approach to near-infrared spectral data analysis using independent component analysis显示文摘	Chen J Wang X	2001	J Chem Inf Comput Sci2001，41，4：	1

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