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Your query 'neural network based virtual screening cytochrome pinhibitors' matched 446195 abstracts with 742225 hits. Returning the first 200 results.
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Ligand-based virtual screening by novelty detection with self-organizing maps.
12 Sep 2007 
We describe a novel method for ligand-based virtual screening, based on utilizing Self-Organizing Maps (SOM) as a novelty detection device. Novelty detection (or one-class classification) refers to the attempt of identifying patterns that do not ...
rec_pub_17854167-ligand-based-virtual-screening-novelty-detection-self-organizing-maps.htm
New methodologies for ligand-based virtual screening.
30 Dec 2004 Computational screening of compound databases has become increasingly popular in pharmaceutical research. Virtual screening approaches can roughly be divided into target structure-based screening (often referred to as docking) and screening using ...
rec_pub_15853666-new-methodologies-ligand-based-virtual-screening.htm
Neural-network-Based adaptive hybrid-reflectance model for 3-D surface reconstruction.
30 Oct 2005 This paper proposes a novel neural-network-based adaptive hybrid-reflectance three-dimensional (3-D) surface reconstruction model. The neural network automatically combines the diffuse and specular components into a hybrid model. The proposed model ...
rec_pub_16342500-neural-network-based-adaptive-hybrid-reflectance-model-3-d-surface.htm
Multiple-ligand-based virtual screening: methods and applications of the MTree approach.
18 Oct 2005 We present a novel approach for ligand-based virtual screening by combining query molecules into a multiple feature tree model called MTree. All molecules are described by the established feature tree descriptor, which is derived from a topological ...
rec_pub_16220974-multiple-ligand-based-virtual-screening-methods-applications-mtree.htm
23 Aug 2005 In this paper, we compare protein- and ligand-based virtual screening techniques for identifying the ligands of four biogenic amine-binding G-protein coupled receptors (GPCRs). For the screening of the virtual compound libraries, we used (1) ...
rec_pub_16107144-virtual-screening-biogenic-amine-binding-g-protein-coupled-receptors.htm
5 May 2008 A structure-based virtual screening (SBVS) was conducted on a ligand-supported homology model of the human histamine H4 receptor (hH4R). More than 8.7 million 3D structures derived from different vendor databases were investigated by docking to the ...
rec_pub_18459760-discovery-novel-human-histamine-h4-receptor-ligands-large-scale.htm
Blur identification by multilayer neural network based on multivalued neurons.
29 Apr 2008 A multilayer neural network based on multivalued neurons (MLMVN) is a neural network with a traditional feedforward architecture. At the same time, this network has a number of specific different features. Its backpropagation learning algorithm is ...
rec_pub_18467216-blur-identification-multilayer-neural-network-based-multivalued.htm
The use of consensus scoring in ligand-based virtual screening.
30 Dec 2005 A new consensus approach has been developed for ligand-based virtual screening. It involves combining highly disparate properties in order to improve performance in virtual screening. The properties include structural, 2D pharmacophore and ...
rec_pub_16426063-the-use-consensus-scoring-ligand-based-virtual-screening.htm
A stable neural network-based observer with application to flexible-joint manipulators.
30 Dec 2005 A stable neural network (NN)-based observer for general multivariable nonlinear systems is presented in this paper. Unlike most previous neural network observers, the proposed observer uses a nonlinear-in-parameters neural network (NLPNN). ...
rec_pub_16526481-a-stable-neural-network-based-observer-application-flexible-joint.htm
Structure-based virtual screening of FGFR inhibitors: cross-decoys and induced-fit effect.
30 Dec 2006 BACKGROUND: Receptor rearrangement upon ligand binding (induced-fit) constitutes a complicating factor in structure-based virtual screening, as protein flexibility is only partially included in many high-throughput docking programs. The effect of ...
rec_pub_17263588-structure-based-virtual-screening-fgfr-inhibitors-cross-decoys.htm
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