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582篇 您的检索式:期刊名="Inf Comput"
    题名 作者 年代 出处 被引量
1Molecular similarity based on novel atom-type electrotopological state indices显示文摘 Kier L B Brown B B 1995J Chem Inf Comput Sci1995,35,6:1
2The electrotopological state: structure information at the atomic level for molecular graphs 显示文摘Hall L H Mohney B Kier L B 1991J Chem Inf Comput Sci1991,31,1:1
3Electrotopological state indices for atomtypes:a novel combination of electronic,topological andvalence state information显示文摘Hall LH Kier LB 1995J Chem Inf Comput Sci1995,35,:1
4Combined 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 2002J Chem Inf Comput Sci2002,42,:1
5Visual cryptography for general access structures显示文摘ATENIES G CARLO B SANTIS A D 1996Inf Comput1996,129,2:1
6The Laplaeian matrix in chemistry显示文摘TRINAJSTIC N BABIC D NIKOLI S 1994J Chem Inf Comput Sei1994,34,2:1
7Chemometrical classification of ephrinligands and Eph kinases using GRID/CPCA approach 显示文摘Myshikin E Wang B 2003J Chem Inf Comput Sci2003,433,:1
8A new approach to near-infrared spectral data analysis using independent component analysis显示文摘Chen J Wang X 2001J Chem Inf Comput Sci2001,41,4:1
9Electrotopological state indices for atom types:a novel combination of electronic,topological,and valence state information显示文摘 Kier L B 1995J Chem Inf Comput Sci1995,35,6:1
10Electrotopological state indices for atom types: a novel combination of electronic, topological, and valence state information显示文摘Hall L H Kier L B 1995J Chem Inf Comput Sci1995,35,6:1
11Molecular similaritybased on novel atom-type electrotopological state indices显示文摘Hall L H Kier L B Brown B B 1995J Chem Inf Comput Sci1995,35,:1
12Atom pairs as molecular: features in structure activity studies: definition and applications显示文摘Carhart RE Smith DH Venkataraghavan R 1985J Chem Inf Comput Sci1985,25,2:1
13Validated QSAR prediction of OH tropospheric degradation of VOCs : Splitting into training-test sets and consensus modeling 显示文摘Gramatica P Pilutti P Papa E 2004J Chem Inf Comput Sci2004,44,5:1
14Use of ^13CNMR spectrometric data to produce a predictive model of estrogen receptor binding activity 显示文摘Beger R D Freeman J P Lay Jr J O 2001J Chem Inf Comput Sci2001,41,1:1
15Edge adjacency relationships and a novel topological index related to molecular volume显示文摘Estrada E 1995J Chem Inf Comput Sci1995,35,1:1
16Edge Adjacency Relationships and a Novel Topological Index Related to Molecular Volume显示文摘Estrada E 1995J Chem Inf Comput Sci1995,35,1:1
17Fragmental approach in QSPR显示文摘NIKOLAI S Z VLADIMIR A P 2002J Chem Inf Comput Sci2002,42,:1
18The comparative molecular surface analysis (CoMSA) with modified uniformative variable elimination-PLS ( UVE-PLS ) method: application to the steroids binding the aromatase enzyme 显示文摘Polanski J Gieleciak R 2003J Chem Inf Comput Sci2003,43,2:1
19NMRShiftDB-constructing a freechemical information system with open-source components 显示文摘Steinbeck C Krause S Kuhn S 2003JChem Inf Comput Sci2003,43,6:1
20Rough sets显示文摘PAWLAK Z 1982Int J comput Inf Sci1982,11,5:1
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