PubRank

Andreas Bender

Author PubWeight™ 99.95‹?›

Top papers

Rank Title Journal Year PubWeight™‹?›
1 Integrating high-content screening and ligand-target prediction to identify mechanism of action. Nat Chem Biol 2007 3.17
2 Single-cell expression profiling of dopaminergic neurons combined with association analysis identifies pyridoxal kinase as Parkinson's disease gene. Ann Neurol 2009 2.21
3 Multi-parameter phenotypic profiling: using cellular effects to characterize small-molecule compounds. Nat Rev Drug Discov 2009 1.95
4 Mapping adverse drug reactions in chemical space. J Med Chem 2009 1.77
5 Ligand-target prediction using Winnow and naive Bayesian algorithms and the implications of overall performance statistics. J Chem Inf Model 2008 1.69
6 Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J Comput Aided Mol Des 2011 1.68
7 A pharmacological model for psychosis based on N-methyl-D-aspartate receptor hypofunction: molecular, cellular, functional and behavioral abnormalities. Biol Psychiatry 2006 1.57
8 A multiplex real-time PCR method to detect and quantify mitochondrial DNA deletions in individual cells. Anal Biochem 2007 1.56
9 Nature of mitochondrial DNA deletions in substantia nigra neurons. Am J Hum Genet 2008 1.48
10 Anti-MRSA agent discovery using diversity-oriented synthesis. Angew Chem Int Ed Engl 2008 1.47
11 Gaining insight into off-target mediated effects of drug candidates with a comprehensive systems chemical biology analysis. J Chem Inf Model 2009 1.40
12 Diversity-oriented synthesis; a spectrum of approaches and results. Org Biomol Chem 2008 1.37
13 From in silico target prediction to multi-target drug design: current databases, methods and applications. J Proteomics 2011 1.35
14 Understanding and classifying metabolite space and metabolite-likeness. PLoS One 2011 1.29
15 Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms. J Chem Inf Model 2012 1.29
16 Recognizing pitfalls in virtual screening: a critical review. J Chem Inf Model 2012 1.27
17 Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME. IDrugs 2006 1.25
18 Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors. J Med Chem 2006 1.23
19 Modeling promiscuity based on in vitro safety pharmacology profiling data. ChemMedChem 2007 1.21
20 Skeletal diversity construction via a branching synthetic strategy. Chem Commun (Camb) 2006 1.12
21 In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window. J Chem Inf Model 2013 1.12
22 A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization. BMC Bioinformatics 2010 1.11
23 Drip, ship, and retrieve: cooperative recanalization therapy in acute basilar artery occlusion. Stroke 2010 1.07
24 Alterations of hippocampal and prefrontal GABAergic interneurons in an animal model of psychosis induced by NMDA receptor antagonism. Schizophr Res 2007 1.07
25 Rehabilitation outcome of anoxic-ischaemic encephalopathy survivors with prolonged disorders of consciousness. Resuscitation 2013 1.06
26 Random forest Gini importance favours SNPs with large minor allele frequency: impact, sources and recommendations. Brief Bioinform 2011 1.03
27 Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs. J Chem Inf Model 2009 1.02
28 Expression analysis of dopaminergic neurons in Parkinson's disease and aging links transcriptional dysregulation of energy metabolism to cell death. Acta Neuropathol 2011 1.01
29 Significantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram data. PLoS Comput Biol 2013 1.01
30 Fishing the target of antitubercular compounds: in silico target deconvolution model development and validation. J Proteome Res 2009 0.98
31 Nutritional screening for risk prediction in patients scheduled for extra-abdominal surgery. Nutrition 2013 0.98
32 P-glycoprotein substrate models using support vector machines based on a comprehensive data set. J Chem Inf Model 2011 0.97
33 How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space. J Chem Inf Model 2013 0.97
34 Bilateral loss of cortical SSEP responses is compatible with good outcome after cardiac arrest. J Neurol 2012 0.97
35 Understanding false positives in reporter gene assays: in silico chemogenomics approaches to prioritize cell-based HTS data. J Chem Inf Model 2007 0.96
36 General melting point prediction based on a diverse compound data set and artificial neural networks. J Chem Inf Model 2005 0.96
37 Grasping premanifest Huntington's disease - shaping new endpoints for new trials. Mov Disord 2010 0.95
38 Diversity-oriented synthesis of macrocyclic peptidomimetics. Proc Natl Acad Sci U S A 2011 0.94
39 Chemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicines. J Chem Inf Model 2013 0.93
40 Alpha shapes applied to molecular shape characterization exhibit novel properties compared to established shape descriptors. J Chem Inf Model 2009 0.93
41 Chemogenomics approaches for receptor deorphanization and extensions of the chemogenomics concept to phenotypic space. Curr Top Med Chem 2011 0.92
42 Systematic, standardized and comprehensive neurological phenotyping of inbred mice strains in the German Mouse Clinic. J Neurosci Methods 2006 0.92
43 Chemoinformatics-based classification of prohibited substances employed for doping in sport. J Chem Inf Model 2006 0.92
44 Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds. J Comput Aided Mol Des 2007 0.92
45 Identifying novel adenosine receptor ligands by simultaneous proteochemometric modeling of rat and human bioactivity data. J Med Chem 2012 0.90
46 Assessment of structural diversity in combinatorial synthesis. Curr Opin Chem Biol 2005 0.90
47 A large descriptor set and a probabilistic kernel-based classifier significantly improve druglikeness classification. J Chem Inf Model 2007 0.90
48 Design, synthesis, and biological evaluation of an allosteric inhibitor of HSET that targets cancer cells with supernumerary centrosomes. Chem Biol 2013 0.90
49 Accumulation of mitochondrial DNA deletions within dopaminergic neurons triggers neuroprotective mechanisms. Brain 2013 0.90
50 Heteroplasmic mutation in the anticodon-stem of mitochondrial tRNA(Val) causing MNGIE-like gastrointestinal dysmotility and cachexia. J Neurol 2009 0.90
51 Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets. J Cheminform 2013 0.89
52 Which compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical development. PLoS One 2011 0.88
53 Harvesting chemical information from the Internet using a distributed approach: ChemXtreme. J Chem Inf Model 2006 0.87
54 The challenges involved in modeling toxicity data in silico: a review. Curr Pharm Des 2012 0.87
55 The low abundance of clonally expanded mitochondrial DNA point mutations in aged substantia nigra neurons. Aging Cell 2009 0.87
56 Melting point prediction employing k-nearest neighbor algorithms and genetic parameter optimization. J Chem Inf Model 2006 0.87
57 Characterizing bitterness: identification of key structural features and development of a classification model. J Chem Inf Model 2006 0.87
58 Rehabilitation outcome of patients with severe and prolonged disorders of consciousness after aneurysmal subarachnoid hemorrhage (aSAH). Clin Neurol Neurosurg 2013 0.86
59 Lewy body pathology is associated with mitochondrial DNA damage in Parkinson's disease. Neurobiol Aging 2013 0.85
60 Rationale and design of the prospective German registry of outcome in patients with severe disorders of consciousness after acute brain injury. Arch Phys Med Rehabil 2013 0.84
61 Encoding and decoding graphical chemical structures as two-dimensional (PDF417) barcodes. J Chem Inf Model 2005 0.84
62 Analysis of activity space by fragment fingerprints, 2D descriptors, and multitarget dependent transformation of 2D descriptors. J Chem Inf Model 2006 0.84
63 Multimodal recanalization therapy in acute basilar artery occlusion: long-term functional outcome and quality of life. Stroke 2012 0.84
64 A two-directional strategy for the diversity-oriented synthesis of macrocyclic scaffolds. Org Biomol Chem 2012 0.84
65 Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets. J Cheminform 2013 0.84
66 Substructure-based virtual screening for adenosine A2A receptor ligands. ChemMedChem 2011 0.84
67 Connecting gene expression data from connectivity map and in silico target predictions for small molecule mechanism-of-action analysis. Mol Biosyst 2014 0.83
68 Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble. J Comput Aided Mol Des 2010 0.83
69 Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases. ChemMedChem 2010 0.83
70 Neuromelanin, neurotransmitter status and brainstem location determine the differential vulnerability of catecholaminergic neurons to mitochondrial DNA deletions. Mol Brain 2011 0.83
71 Tongue force analysis assesses motor phenotype in premanifest and symptomatic Huntington's disease. Mov Disord 2010 0.82
72 The discovery of antibacterial agents using diversity-oriented synthesis. Chem Commun (Camb) 2009 0.82
73 Plate-based diversity selection based on empirical HTS data to enhance the number of hits and their chemical diversity. J Biomol Screen 2009 0.82
74 Increased diversity of libraries from libraries: chemoinformatic analysis of bis-diazacyclic libraries. Chem Biol Drug Des 2011 0.82
75 "Plate cherry picking": a novel semi-sequential screening paradigm for cheaper, faster, information-rich compound selection. J Biomol Screen 2007 0.81
76 Flexible 3D pharmacophores as descriptors of dynamic biological space. J Mol Graph Model 2007 0.81
77 The pathogenic m.3243A>T mitochondrial DNA mutation is associated with a variable neurological phenotype. Neuromuscul Disord 2010 0.81
78 Mining protein dynamics from sets of crystal structures using "consensus structures". Protein Sci 2010 0.81
79 Screening of quinoline, 1,3-benzoxazine, and 1,3-oxazine-based small molecules against isolated methionyl-tRNA synthetase and A549 and HCT116 cancer cells including an in silico binding mode analysis. Org Biomol Chem 2015 0.80
80 Neurological phenotype and reduced lifespan in heterozygous Tim23 knockout mice, the first mouse model of defective mitochondrial import. Biochim Biophys Acta 2008 0.80
81 [Effects of the housing climate on the foot pad health of fattening turkeys of British United Turkeys 6 origin during the early rearing phase]. Berl Munch Tierarztl Wochenschr 2013 0.80
82 A prospective cross-screening study on G-protein-coupled receptors: lessons learned in virtual compound library design. J Med Chem 2012 0.79
83 Creatine protects against excitoxicity in an in vitro model of neurodegeneration. PLoS One 2012 0.79
84 Substructure mining of GPCR ligands reveals activity-class specific functional groups in an unbiased manner. J Chem Inf Model 2009 0.79
85 A genetic variant of HTR2C may play a role in the manifestation of Tourette syndrome. Psychiatr Genet 2010 0.79
86 Rehabilitation outcome of unconscious traumatic brain injury patients. J Neurotrauma 2013 0.78
87 "Virtual fragment linking": an approach to identify potent binders from low affinity fragment hits. J Med Chem 2008 0.78
88 Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features. Integr Biol (Camb) 2014 0.78
89 Experimental confirmation of new drug-target interactions predicted by Drug Profile Matching. J Med Chem 2013 0.78
90 Stability of auditory event-related potentials in coma research. J Neurol 2014 0.77
91 Analyzing multitarget activity landscapes using protein-ligand interaction fingerprints: interaction cliffs. J Chem Inf Model 2015 0.77
92 Efficient calculation of compound similarity based on maximum common subgraphs and its application to prediction of gene transcript levels. Int J Bioinform Res Appl 2013 0.77
93 Biofragments: an approach towards predicting protein function using biologically related fragments and its application to Mycobacterium tuberculosis CYP126. Chembiochem 2014 0.77
94 Extending in silico mechanism-of-action analysis by annotating targets with pathways: application to cellular cytotoxicity readouts. Future Med Chem 2014 0.77
95 Predicting genes involved in human cancer using network contextual information. J Integr Bioinform 2012 0.76
96 Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space. Chem Biol Drug Des 2013 0.76
97 Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening. Brief Bioinform 2016 0.76
98 Linking Ayurveda and Western medicine by integrative analysis. J Ayurveda Integr Med 2013 0.75
99 Iterative reconstruction of high-dimensional Gaussian Graphical Models based on a new method to estimate partial correlations under constraints. PLoS One 2013 0.75
100 In Reply. Dtsch Arztebl Int 2015 0.75
101 Increasing use of intravenous rt-PA does not affect safety in acute stroke. J Neurol 2005 0.75
102 Innovation in Small-Molecule-Druggable Chemical Space: Where are the Initial Modulators of New Targets Published? J Chem Inf Model 2017 0.75
103 Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem. J Chem Inf Model 2008 0.75
104 Quality of evidence of rehabilitation interventions in long-term care for people with severe disorders of consciousness after brain injury: A systematic review. J Rehabil Med 2015 0.75
105 Multi-objective evolutionary design of adenosine receptor ligands. J Chem Inf Model 2012 0.75
106 Computer-aided (in silico) approaches in the mode-of-action analysis and safety assessment of ostarine and 4-methylamphetamine. Hum Psychopharmacol 2013 0.75
107 Evolved cellular automata for protein secondary structure prediction imitate the determinants for folding observed in nature. In Silico Biol 2007 0.75
108 Current trends in drug sensitivity prediction. Curr Pharm Des 2016 0.75
109 A case report of the efficient reduction of calcium channel antibodies by tryptophan ligand immunoadsorption in a patient with Lambert-Eaton syndrome. Ther Apher Dial 2010 0.75
110 Erratum to: Stability of auditory event-related potentials in coma research. J Neurol 2015 0.75
111 Ask the experts: focus on computational chemistry. Future Med Chem 2011 0.75
112 Identification of Novel Aurora Kinase A (AURKA) Inhibitors via Hierarchical Ligand-Based Virtual Screening. J Chem Inf Model 2017 0.75
113 Ataxia oculomotor apraxia type 2: course over 27 years and a novel stop mutation in the senataxin gene. J Neurol 2009 0.75
114 Computational methods to support high-content screening: from compound selection and data analysis to postulating target hypotheses. Expert Opin Drug Discov 2009 0.75
115 Long-term health-related quality-of-life in patients with acquired brain injury and their caregivers. Brain Inj 2014 0.75
116 Modeling Polypharmacological Profiles by Affinity Fingerprinting. Curr Pharm Des 2016 0.75