Published in J Control Release on December 01, 2011
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Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis. J Chem Inf Model (2008) 1.69
Amphipathic weak acid glucocorticoid prodrugs remote-loaded into sterically stabilized nanoliposomes evaluated in arthritic rats and in a Beagle dog: a novel approach to treating autoimmune arthritis. Arthritis Rheum (2008) 1.65
QSAR modeling of the blood-brain barrier permeability for diverse organic compounds. Pharm Res (2008) 1.46
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Predictive modeling of chemical hazard by integrating numerical descriptors of chemical structures and short-term toxicity assay data. Toxicol Sci (2012) 1.40
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Ultrasound triggered release of cisplatin from liposomes in murine tumors. J Control Release (2009) 1.25
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Quantitative structure-activity relationship analysis of functionalized amino acid anticonvulsant agents using k nearest neighbor and simulated annealing PLS methods. J Med Chem (2002) 1.18
Quantitative nanostructure-activity relationship modeling. ACS Nano (2010) 1.18
Controlling liposomal drug release with low frequency ultrasound: mechanism and feasibility. Langmuir (2007) 1.18
Use of cell viability assay data improves the prediction accuracy of conventional quantitative structure-activity relationship models of animal carcinogenicity. Environ Health Perspect (2008) 1.17
Combinatorial QSAR modeling of P-glycoprotein substrates. J Chem Inf Model (2006) 1.16
Development of a four-body statistical pseudo-potential to discriminate native from non-native protein conformations. Bioinformatics (2003) 1.16
A novel automated lazy learning QSAR (ALL-QSAR) approach: method development, applications, and virtual screening of chemical databases using validated ALL-QSAR models. J Chem Inf Model (2006) 1.16
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Nanostructure of cationic lipid-oligonucleotide complexes. Biophys J (2004) 1.15
Human intestinal transporter database: QSAR modeling and virtual profiling of drug uptake, efflux and interactions. Pharm Res (2012) 1.15
Quantitative high-throughput screening for chemical toxicity in a population-based in vitro model. Toxicol Sci (2012) 1.12
Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches. Chem Res Toxicol (2011) 1.11
Quantitative structure-activity relationship modeling of rat acute toxicity by oral exposure. Chem Res Toxicol (2009) 1.11
Cheminformatics analysis of assertions mined from literature that describe drug-induced liver injury in different species. Chem Res Toxicol (2010) 1.08
Chemical basis of interactions between engineered nanoparticles and biological systems. Chem Rev (2014) 1.07
Artemisone effective against murine cerebral malaria. Malar J (2010) 1.07
Development and validation of k-nearest-neighbor QSPR models of metabolic stability of drug candidates. J Med Chem (2003) 1.06
Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI). J Chem Inf Model (2006) 1.06
Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfaces. J Med Chem (2006) 1.05
Liposome-induced complement activation and related cardiopulmonary distress in pigs: factors promoting reactogenicity of Doxil and AmBisome. Nanomedicine (2011) 1.03
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Integrative chemical-biological read-across approach for chemical hazard classification. Chem Res Toxicol (2013) 1.01
The role of organ vascularization and lipoplex-serum initial contact in intravenous murine lipofection. J Biol Chem (2003) 1.01
Comparing graph representations of protein structure for mining family-specific residue-based packing motifs. J Comput Biol (2005) 1.01
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Quantitative structure-activity relationship analysis of pyridinone HIV-1 reverse transcriptase inhibitors using the k nearest neighbor method and QSAR-based database mining. J Comput Aided Mol Des (2005) 0.99
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Combinatorial QSAR of ambergris fragrance compounds. J Chem Inf Comput Sci (2004) 0.98
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Novel inhibitors of human histone deacetylase (HDAC) identified by QSAR modeling of known inhibitors, virtual screening, and experimental validation. J Chem Inf Model (2009) 0.98
Quantitative structure-pharmacokinetic parameters relationships (QSPKR) analysis of antimicrobial agents in humans using simulated annealing k-nearest-neighbor and partial least-square analysis methods. J Pharm Sci (2004) 0.98
Application of validated QSAR models of D1 dopaminergic antagonists for database mining. J Med Chem (2005) 0.98
Novel apoptosis-inducing trans-platinum piperidine derivatives: synthesis and biological characterization. J Med Chem (2002) 0.97
Novel ligands for the human histamine H1 receptor: synthesis, pharmacology, and comparative molecular field analysis studies of 2-dimethylamino-5-(6)-phenyl-1,2,3,4-tetrahydronaphthalenes. Bioorg Med Chem (2006) 0.97
A stochastic algorithm for global optimization and for best populations: a test case of side chains in proteins. Proc Natl Acad Sci U S A (2002) 0.97
Application of predictive QSAR models to database mining: identification and experimental validation of novel anticonvulsant compounds. J Med Chem (2004) 0.96
Identification of putative estrogen receptor-mediated endocrine disrupting chemicals using QSAR- and structure-based virtual screening approaches. Toxicol Appl Pharmacol (2013) 0.96
Three new consensus QSAR models for the prediction of Ames genotoxicity. Mutagenesis (2004) 0.96
Polysaccharide-oligoamine based conjugates for gene delivery. J Med Chem (2002) 0.94
Adjuvanted influenza vaccines. Expert Rev Vaccines (2013) 0.93
Discovery of novel antimalarial compounds enabled by QSAR-based virtual screening. J Chem Inf Model (2013) 0.93
A novel two-step hierarchical quantitative structure-activity relationship modeling work flow for predicting acute toxicity of chemicals in rodents. Environ Health Perspect (2009) 0.93
Antitumor agents. 213. Modeling of epipodophyllotoxin derivatives using variable selection k nearest neighbor QSAR method. J Med Chem (2002) 0.92
QSAR modeling of human serum protein binding with several modeling techniques utilizing structure-information representation. J Med Chem (2006) 0.91
Tuning HERG out: antitarget QSAR models for drug development. Curr Top Med Chem (2014) 0.91
Boundary lubricants with exceptionally low friction coefficients based on 2D close-packed phosphatidylcholine liposomes. Adv Mater (2011) 0.91
A novel liposomal bupivacaine formulation to produce ultralong-acting analgesia. Anesthesiology (2004) 0.91
kappa Nearest neighbors QSAR modeling as a variational problem: theory and applications. J Chem Inf Model (2005) 0.90
Data set modelability by QSAR. J Chem Inf Model (2014) 0.90
Transferrin as a luminal target for negatively charged liposomes in the inflamed colonic mucosa. Mol Pharm (2009) 0.90
Local treatment of experimental colitis in the rat by negatively charged liposomes of catalase, TMN and SOD. J Drug Target (2006) 0.90
Lipoplexes prepared from cationic liposomes and mammalian DNA induce CpG-independent, direct cytotoxic effects in cell cultures and in mice. J Gene Med (2006) 0.90
Refined structure of bovine carboxypeptidase A at 1.25 A resolution. Acta Crystallogr D Biol Crystallogr (2003) 0.90
An updated review on drug-induced cholestasis: mechanisms and investigation of physicochemical properties and pharmacokinetic parameters. J Pharm Sci (2013) 0.89
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Computational systems chemical biology. Methods Mol Biol (2011) 0.88
A conformational change in heparan sulfate 3-O-sulfotransferase-1 is induced by binding to heparan sulfate. Biochemistry (2004) 0.88
Combined application of cheminformatics- and physical force field-based scoring functions improves binding affinity prediction for CSAR data sets. J Chem Inf Model (2011) 0.88
Pegylated nanoliposomes remote-loaded with the antioxidant tempamine ameliorate experimental autoimmune encephalomyelitis. J Neuroimmunol (2009) 0.88
Modeling liver-related adverse effects of drugs using knearest neighbor quantitative structure-activity relationship method. Chem Res Toxicol (2010) 0.88
Structure-based function inference using protein family-specific fingerprints. Protein Sci (2006) 0.88
Does rational selection of training and test sets improve the outcome of QSAR modeling? J Chem Inf Model (2012) 0.88