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183篇 您的检索式:期刊名="Model Chem"
    题名 作者 年代 出处 被引量
1Comparison of muhilabel and single-label classification applied to the predic- tion of the isoform specificity of cytochrome P450 substrates 显示文摘MICHIELAN L TERFLOTH L GASTEIGER J 2009J Chem Inf Model2009,49,11:1
2ZINC-a free database of commercially available compounds for virtual screening 显示文摘Irwin JJ and Shoichet BK 2005J Chem Inf Model2005,45,1:1
3Structure-based design of peptides against G3BP with cytotoxicity on tumor cells显示文摘Cui W Wei Z Chen Q 2010J Chem Inf Model2010,50,:1
4Modeling compound-target interaction network of traditional Chinese medicines for type II diabetesmellitus: Insight for polypharmacology and drug design显示文摘TIAN S LI Y Y LI D 2013J Chem Inf Model2013,53,7:1
5Comparisonof multilabel and single-label classification applied 220to the prediction of the isoform specificity of cytochromeP450 substrates 显示文摘Michielan L Terfloth L Gasteiger J 2009J Chem Inf Model2009,49,11:1
6Influence of Alkali Metal Cations upon the Kolbe-Schmitt Reaction Mechanism显示文摘Markovic Z Markovid S Begovid N 2006Chem Inf Model2006,46,5:1
7Improving the quality of 3D-QSAR by using flexible-ligand receptor models显示文摘PEI Jian-feng CHEN Hao LIU Zhen-ming 2005J Chem Inf Model2005,45,6:1
8A l z P l a t f o r m:a n Alzheimer’s disease domain-specific chemogenomics knowledgebase for polypharmacology and target identification research显示文摘L i u H B W a n g L R L v M L e t a l 2014J Chem Inf Model2014,54,4:1
9In silico prediction of buffer solubility based on quantum-mechanical and HQSAR-and topology-based descriptors显示文摘GOLLER A H HENNEMANN M KELDENICH J 2006J Chem Inf Model2006,46,2:1
10ASimple model for synergism of corrosion inhibitors 显示文摘KALMAN E LUKOVITS I PALINKAS G 1995ACH Models Chem1995,132,4:1
11Pro teomics and bioinformatics strategies to design countermea- sures against infectious threat agents显示文摘KHAN A S MUJER C V ALEFANTIS T G 2006J Chem Inf Model2006,46,1:1
12Structure2based pharmacophore design and virtual screening for novel angiotensin converting enzyme 2 inhibitors显示文摘RellaM Rushworth CA Guy JL 2006J Chem Inf Model2006,46,2:1
13In silico prediction of blood brain barrier permeability:an artificial neural network model显示文摘GRAG P VERMA J 2006J Chem Inf Model2006,46,1:1
14Analysis of growth of lactobacillus plantarum WCFS1 on a complex medium using a genome-scale metabolic显示文摘Teusink B Wilersma A Molenaar D 2006Model Chem2006,281,40:1
15Virtual screening of Chineseherbs with Random Forest显示文摘Ehrman TM Barlow DJ Hylands PJ 2007J Chem Inf Model2007,47,2:1
16Local and giobal quantitative structure-activity relationship modeling and Prediction for the baseline toxicity显示文摘Yuan H Wang YY Ceng YY 2007Chem Inf Model2007,47,:1
17Detailed mechanism of squalene epoxidase inhibition by terbinafine显示文摘Nowosielski M Hoffman M Wyrwicz LS 2011J Chem Info Model2011,51,2:1
18Discovery of multitarget-directed ligandsagainst Alzheimer’s disease through systematic prediction of chcmical-ptotein interactions 显示文摘Fang J U Y Liu R 2015J Chem Inf Model2015,55,1:1
19Predictions of BuChE inhibitors using support vector machine (SVM) and naive bayesian classification techniques in drug discovery显示文摘FANG J S YANG R Y GAO L I 2013J Chem Inf Model2013,53,11:1
20Modeling of non-catalytic supercritical water oxidation of phenol显示文摘GHOREISHI S M SHARIATMADAR MORTAZAVI S M ALI Hedayati 2015Chem Prod Process Model2015,10,4:1
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