about
P185
Modelling of compound combination effects and applications to efficacy and toxicity: state-of-the-art, challenges and perspectivesCheminformaticsProteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesPrediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling.A multi-label approach to target prediction taking ligand promiscuity into accountChemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small moleculesTarget prediction utilising negative bioactivity data covering large chemical spaceMetrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modelingSynergy Maps: exploring compound combinations using network-based visualizationAnalysis of pharmacology data and the prediction of adverse drug reactions and off-target effects from chemical structureChemogenomics approaches to rationalizing the mode-of-action of traditional Chinese and Ayurvedic medicinesWhich compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical developmentUnderstanding and classifying metabolite space and metabolite-likenessSignificantly improved HIV inhibitor efficacy prediction employing proteochemometric models generated from antivirogram dataOnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationA One Pot Synthesis of Novel Bioactive Tri-Substitute-Condensed-Imidazopyridines that Targets Snake Venom Phospholipase A211th German Conference on Chemoinformatics (GCC 2015) : Fulda, Germany. 8-10 November 2015.Trisubstituted-Imidazoles Induce Apoptosis in Human Breast Cancer Cells by Targeting the Oncogenic PI3K/Akt/mTOR Signaling PathwayCheminformatics Research at the Unilever Centre for Molecular Science Informatics CambridgeComputational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanismsProperties and prediction of mitochondrial transit peptides from Plasmodium falciparumProteochemometric modeling in a Bayesian framework.Analysis of Differential Efficacy and Affinity of GABAA (α1/α2) Selective Modulators.From in silico target prediction to multi-target drug design: current databases, methods and applications.In silico target predictions: defining a benchmarking data set and comparison of performance of the multiclass Naïve Bayes and Parzen-Rosenblatt window.Are phylogenetic trees suitable for chemogenomics analyses of bioactivity data sets: the importance of shared active compounds and choosing a suitable data embedding method, as exemplified on Kinases.Comparing the Influence of Simulated Experimental Errors on 12 Machine Learning Algorithms in Bioactivity Modeling Using 12 Diverse Data Sets.General melting point prediction based on a diverse compound data set and artificial neural networks.How Consistent are Publicly Reported Cytotoxicity Data? Large-Scale Statistical Analysis of the Concordance of Public Independent Cytotoxicity Measurements.Improved Chemical Structure-Activity Modeling Through Data Augmentation.Analysis of Iterative Screening with Stepwise Compound Selection Based on Novartis In-house HTS Data.Modeling promiscuity based on in vitro safety pharmacology profiling data.Understanding false positives in reporter gene assays: in silico chemogenomics approaches to prioritize cell-based HTS data.Data-Driven Derivation of an "Informer Compound Set" for Improved Selection of Active Compounds in High-Throughput Screening.Molecular similarity: a key technique in molecular informatics.Chemogenomic data analysis: prediction of small-molecule targets and the advent of biological fingerprint.Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.Screening for dihydrofolate reductase inhibitors using MOLPRINT 2D, a fast fragment-based method employing the naïve Bayesian classifier: limitations of the descriptor and the importance of balanced chemistry in training and test sets.Bridging chemical and biological space: "target fishing" using 2D and 3D molecular descriptors.
P50
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P50
description
Lecturer for Molecular Informa ...... at the University of Cambridge
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Kieron Patrick Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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Andreas Bender
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