Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program
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Hydrophobicity and charge shape cellular metabolite concentrationsThe development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTSToxicological effects of the different substances in tobacco smoke on human embryonic development by a systems chemo-biology approachOnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationModeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM)Global Model for Octanol-Water Partition Coefficients from Proton Nuclear Magnetic Resonance Spectra.QSAR application for the prediction of compound permeability with in silico descriptors in practical use.Retention data from reverse-phase high-performance thin-layer chromatography in characterization of some bis-salicylic acid derivatives.Experimental and theoretical studies on the molecular properties of ciprofloxacin, norfloxacin, pefloxacin, sparfloxacin, and gatifloxacin in determining bioavailability.Enhancing the anti-lymphoma potential of 3,4-methylenedioxymethamphetamine ('ecstasy') through iterative chemical redesign: mechanisms and pathways to cell death.Performance of (consensus) kNN QSAR for predicting estrogenic activity in a large diverse set of organic compounds.SAR and QSAR modeling of endocrine disruptors.Perfluoroalkyl sulfonic and carboxylic acids: a critical review of physicochemical properties, levels and patterns in waters and wastewaters, and treatment methods.A Review on Influencing Factors on the Minimum Inhibitory Concentration of Essential Oils.The Structure-Antimicrobial Activity Relationships of a Promising Class of the Compounds Containing the N-Arylpiperazine Scaffold.Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.A renaissance of neural networks in drug discovery.Lipophilicity and biomimetic properties to support drug discovery.Discovery of phthalimides as immunomodulatory and antitumor drug prototypes.Antibacterial Activity of Imidazolium-Based Ionic Liquids Investigated by QSAR Modeling and Experimental Studies.Introduction to Cheminformatics.Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compound.Indolyl aryl sulphones as HIV-1 non-nucleoside reverse transcriptase inhibitors: synthesis, biological evaluation and binding mode studies of new derivatives at indole-2-carboxamide.Surfactant-Stripped Frozen Pheophytin Micelles for Multimodal Gut Imaging.Metabolism-based synthesis, biological evaluation and structure-activity relationship analysis of spirotetramat analogues as potential lipid biosynthesis inhibitors.Chemical reactivity and antimicrobial activity of N-substituted maleimides.Instrumental measurement of bitter taste in red wine using an electronic tongue.Novel derivatisation technique for the determination of chlorophenoxy acid type herbicides by gas chromatography-mass spectrometry.Congener-specific organic carbon-normalized soil and sediment-water partitioning coefficients for the C1 through C8 perfluoroalkyl carboxylic and sulfonic acids.Structure and antioxidant activity of brominated flavonols and flavanones.Computational assessment of the environmental fate, bioaccumulation, and toxicity potential of brominated benzylpolystyrene.Occurrence and fate of micropollutants in the Vidy Bay of Lake Geneva, Switzerland. Part I: priority list for environmental risk assessment of pharmaceuticals.Understanding pharmacokinetic food effects using molecular dynamics simulation coupled with physiologically based pharmacokinetic modeling.Hemolytic mechanism of dioscin proposed by molecular dynamics simulations.Structure-retention relationship study of polyoxygenated steroids.VirtualToxLab: Exploring the Toxic Potential of Rejuvenating Substances Found in Traditional Medicines.In silico screening of drug-membrane thermodynamics reveals linear relations between bulk partitioning and the potential of mean force.Identification of anti-inflammatory constituents in Phellodendri Cortex and Coptidis Rhizoma by monitoring the suppression of nitric oxide production.QSAR studies and antimicrobial potential of 1,3-thiazolylphosphonium salts.Evaluation of QSAR models for the prediction of ames genotoxicity: a retrospective exercise on the chemical substances registered under the EU REACH regulation.
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P2860
Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program
description
im September 2002 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published on 01 September 2002
@en
wetenschappelijk artikel
@nl
наукова стаття, опублікована у вересні 2002
@uk
name
Application of Associative Neu ...... hilicity in ALOGPS 2.1 Program
@en
Application of Associative Neu ...... hilicity in ALOGPS 2.1 Program
@nl
type
label
Application of Associative Neu ...... hilicity in ALOGPS 2.1 Program
@en
Application of Associative Neu ...... hilicity in ALOGPS 2.1 Program
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prefLabel
Application of Associative Neu ...... hilicity in ALOGPS 2.1 Program
@en
Application of Associative Neu ...... hilicity in ALOGPS 2.1 Program
@nl
P356
P1476
Application of associative neu ...... hilicity in ALOGPS 2.1 program
@en
P2093
Vsevolod Yu Tanchuk
P304
P356
10.1021/CI025515J
P577
2002-09-01T00:00:00Z