SAR and QSAR in Environmental Research

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Top Articles

#	Title	Journal	Year	Citations
1	How not to develop a quantitative structure–activity or structure–property relationship (QSAR/QSPR)	SAR and QSAR in Environmental Research	2009	391
2	An evaluation of the implementation of the Cramer classification scheme in the Toxtree software	SAR and QSAR in Environmental Research	2008	359
3	Knowledge-Based Expert Systems for Toxicity and Metabolism Prediction: DEREK, StAR and METEOR	SAR and QSAR in Environmental Research	1999	199
4	Fruit Tree model for uptake of organic compounds from soil and air†	SAR and QSAR in Environmental Research	2007	133
5	The role of the European Chemicals Bureau in promoting the regulatory use of (Q)SAR methods	SAR and QSAR in Environmental Research	2007	130
6	QSAR Toolbox – workflow and major functionalities	SAR and QSAR in Environmental Research	2016	128
7	Multivariate Qsar Analysis of a Skin Sensitization Database	SAR and QSAR in Environmental Research	1994	127
8	Automatic knowledge extraction from chemical structures: the case of mutagenicity prediction	SAR and QSAR in Environmental Research	2013	121
9	Predicting Modes of Toxic Action from Chemical Structure: An Overview	SAR and QSAR in Environmental Research	1994	119
10	Identification of mechanisms of toxic action for skin sensitisation using a SMARTS pattern based approach	SAR and QSAR in Environmental Research	2008	116
11	Nonlinear Dependence of Fish Bioconcentration on n-Octanol/Water Partition Coefficient	SAR and QSAR in Environmental Research	1993	114
12	A conceptual framework for predicting the toxicity of reactive chemicals: modeling soft electrophilicity	SAR and QSAR in Environmental Research	2006	111
13	Structure–activity relationships for reactivity of carbonyl-containing compounds with glutathione	SAR and QSAR in Environmental Research	2005	104
14	Base-line model for identifying the bioaccumulation potential of chemicals	SAR and QSAR in Environmental Research	2005	102
15	PASS: identification of probable targets and mechanisms of toxicity	SAR and QSAR in Environmental Research	2007	95
16	Probabilistic assessment of biodegradability based on metabolic pathways: CATABOL System	SAR and QSAR in Environmental Research	2002	94
17	Using chemical categories to fill data gaps in hazard assessment	SAR and QSAR in Environmental Research	2009	91
18	Analysing half-lives for pesticide dissipation in plants	SAR and QSAR in Environmental Research	2015	89
19	An automated curation procedure for addressing chemical errors and inconsistencies in public datasets used in QSAR modelling	SAR and QSAR in Environmental Research	2016	89
20	Modelling and predicting the biological effects of nanomaterials	SAR and QSAR in Environmental Research	2014	87
21	Comparison ofin silicotools for evaluating rat oral acute toxicity	SAR and QSAR in Environmental Research	2015	87
22	Comparison of MLR, PLS and GA-MLR in QSAR analysis*	SAR and QSAR in Environmental Research	2003	86
23	Consistency of QSAR models: Correct split of training and test sets, ranking of models and performance parameters	SAR and QSAR in Environmental Research	2015	85
24	QNA-based ‘Star Track’ QSAR approach	SAR and QSAR in Environmental Research	2009	84
25	Investigation of anticancer activity of macrocyclic Schiff bases by means of 4D-QSAR based on simplex representation of molecular structure	SAR and QSAR in Environmental Research	2005	81
26	Applicability domain: towards a more formal definition	SAR and QSAR in Environmental Research	2016	81
27	The Whim Theory: New 3D Molecular Descriptors for Qsar in Environmental Modelling	SAR and QSAR in Environmental Research	1997	80
28	An evaluation of selected global (Q)SARs/expert systems for the prediction of skin sensitisation potential	SAR and QSAR in Environmental Research	2007	77
29	Prediction of the Deral Penetration of Polycyclic Aromatic Hydrocarbons (PAHs): A hierarchical Qsar Approach	SAR and QSAR in Environmental Research	1999	74
30	AI and SAR approaches for predicting chemical carcinogenicity: Survey and status report	SAR and QSAR in Environmental Research	2002	71
31	Development, Characterization and Application of Predictive-Toxicology Models	SAR and QSAR in Environmental Research	1999	68
32	2-D Graphical representation of proteins based on virtual genetic code	SAR and QSAR in Environmental Research	2004	68
33	New concepts for dynamic plant uptake models	SAR and QSAR in Environmental Research	2011	68
34	Relationships Between Descriptors for Hydrophobicity and Soft Electrophilicity in Predicting Toxicity	SAR and QSAR in Environmental Research	1993	67
35	The physicochemical basis of QSARs for baseline toxicity	SAR and QSAR in Environmental Research	2009	67
36	Quantitative Structure–Toxicity Relationships Using Tops-Mode. 1. Nitrobenzene Toxicity toTetrahymena Pyriformis	SAR and QSAR in Environmental Research	2001	66
37	Prediction of acute mammalian toxicity from QSARs and interspecies correlations	SAR and QSAR in Environmental Research	2009	66
38	U.S. EPA Regulatory Perspectives on the Use of QSAR for New and Existing Chemical Evaluations	SAR and QSAR in Environmental Research	1995	65
39	The acid–base profile of a contemporary set of drugs: implications for drug discovery	SAR and QSAR in Environmental Research	2009	65
40	Comparative molecular field analysis (CoMFA) model using a large diverse set of natural, synthetic and environmental chemicals for binding to the androgen receptor	SAR and QSAR in Environmental Research	2003	64
41	Toxmatch–a new software tool to aid in the development and evaluation of chemically similar groups	SAR and QSAR in Environmental Research	2008	64
42	Predicting the biodegradation products of perfluorinated chemicals using CATABOL	SAR and QSAR in Environmental Research	2004	63
43	Anin silicoensemble method for lead discovery: decision forest	SAR and QSAR in Environmental Research	2005	63
44	Structure-based modelling in reproductive toxicology: (Q)SARs for the placental barrier	SAR and QSAR in Environmental Research	2007	63
45	On the Topological Sub-Structural Molecular Design (TOSS-MODE) in QSPR/QSAR and Drug Design Research	SAR and QSAR in Environmental Research	2000	62
46	Hazard Evaluation Support System (HESS) for predicting repeated dose toxicity using toxicological categories	SAR and QSAR in Environmental Research	2013	62
47	Design and development of novel focal adhesion kinase (FAK) inhibitors using Monte Carlo method with index of ideality of correlation to validate QSAR	SAR and QSAR in Environmental Research	2019	62
48	The Electronic Factor in QSAR: MO-Parameters, Competing Interactions, Reactivity and Toxicity	SAR and QSAR in Environmental Research	1994	61
49	Variable selection for QSAR by artificial ant colony systems	SAR and QSAR in Environmental Research	2002	61
50	An integrated "4-phase" approach for setting endocrine disruption screening priorities--phase I and II predictions of estrogen receptor binding affinity	SAR and QSAR in Environmental Research	2002	61

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