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157篇 您的检索式：期刊名="Chem Inf Model"

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	题名	作者	年代	出处	被引量
1	Comparison 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	2009	J Chem Inf Model2009，49，11：	1
2	ZINC-a free database of commercially available compounds for virtual screening 显示文摘	Irwin JJ and Shoichet BK	2005	J Chem Inf Model2005，45，1：	1
3	Structure-based design of peptides against G3BP with cytotoxicity on tumor cells显示文摘	Cui W Wei Z Chen Q	2010	J Chem Inf Model2010，50，：	1
4	Modeling 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	2013	J Chem Inf Model2013，53，7：	1
5	Comparisonof 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	2009	J Chem Inf Model2009，49，11：	1
6	Influence of Alkali Metal Cations upon the Kolbe-Schmitt Reaction Mechanism显示文摘	Markovic Z Markovid S Begovid N	2006	Chem Inf Model2006，46，5：	1
7	Improving the quality of 3D-QSAR by using flexible-ligand receptor models显示文摘	PEI Jian-feng CHEN Hao LIU Zhen-ming	2005	J Chem Inf Model2005，45，6：	1
8	A 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	2014	J Chem Inf Model2014，54，4：	1
9	In 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	2006	J Chem Inf Model2006，46，2：	1
10	Pro 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	2006	J Chem Inf Model2006，46，1：	1
11	Structure2based pharmacophore design and virtual screening for novel angiotensin converting enzyme 2 inhibitors显示文摘	RellaM Rushworth CA Guy JL	2006	J Chem Inf Model2006，46，2：	1
12	In silico prediction of blood brain barrier permeability:an artificial neural network model显示文摘	GRAG P VERMA J	2006	J Chem Inf Model2006，46，1：	1
13	Virtual screening of Chineseherbs with Random Forest显示文摘	Ehrman TM Barlow DJ Hylands PJ	2007	J Chem Inf Model2007，47，2：	1
14	Local and giobal quantitative structure-activity relationship modeling and Prediction for the baseline toxicity显示文摘	Yuan H Wang YY Ceng YY	2007	Chem Inf Model2007，47，：	1
15	Discovery of multitarget-directed ligandsagainst Alzheimer’s disease through systematic prediction of chcmical-ptotein interactions 显示文摘	Fang J U Y Liu R	2015	J Chem Inf Model2015，55，1：	1
16	Predictions 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	2013	J Chem Inf Model2013，53，11：	1
17	Structure-based QSAR analysis of a set of 4-hydroxy-5,6-dihydmpyrones as inhibitors of HIV-1 protease:an application of the receptor-dependent(RD)4D-QSAR显示文摘	Hopfinger AJ	2006	J Chem Inf Model2006，46，1：	1
18	Clever and efficient method for searching optimal geometries of Lennard-Jones clusters显示文摘	Takeuchi H	2006	J Chem Inf Model2006，46，：	1
19	SHAFTS: a hybrid approach for3D molec- ular similarity calculation method and assessment of virtual screen- ing显示文摘	Liu X Jiang H Li H	2011	J Chem Inf Model2011，51，9：	1
20	显示文摘	PAPA E VILLA F GRAMATICA P	2005	J Chem Inf Model2005，45，：	1

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