Journal of Chemical Information and Modeling - Wikidata - awgldk - TriplyDB

Journal of Chemical Information and Modeling

Journal of Chemical Information and Modeling

http://www.wikidata.org/entity/Q3007982

Journal_of_Chemical_Information_and_Modeling Journal_of_Chemical_Information_and_Modeling Journal_of_Chemical_Information_and_Modeling Journal_of_Chemical_Information_and_Modeling Journal_of_Chemical_Information_and_Modeling Journal_of_Chemical_Information_and_Modeling Q3007982

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Application of the random forest method in studies of local lymph node assay based skin sensitization data Anisotropic solvent model of the lipid bilayer. 2. Energetics of insertion of small molecules, peptides, and proteins in membranes Anisotropic solvent model of the lipid bilayer. 1. Parameterization of long-range electrostatics and first solvation shell effects Modular architecture of metabolic pathways revealed by conserved sequences of reactions Chemical Name to Structure: OPSIN, an Open Source Solution Perspectives on Knowledge Discovery Algorithms Recently Introduced in Chemoinformatics: Rough Set Theory, Association Rule Mining, Emerging Patterns, and Formal Concept Analysis The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and Bioinformatics The Blue Obelisk-interoperability in chemical informatics Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators On the Use of 1H and 13C 1D NMR Spectra as QSPR Descriptors Chemical Markup, XML, and the World Wide Web. 7. CMLSpect, an XML Vocabulary for Spectral Data Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs NMRShiftDB - Constructing a Free Chemical Information System with Open-Source Components Chemical Markup, XML, and the World Wide Web. 6. CMLReact, an XML Vocabulary for Chemical Reactions Optimization of Protein Backbone Dihedral Angles by Means of Hamiltonian Reweighting A virtual screen discovers novel, fragment-sized inhibitors of Mycobacterium tuberculosis InhA ZINC--a free database of commercially available compounds for virtual screening Probing the dynamic nature of water molecules and their influences on ligand binding in a model binding site Scaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitors PENG: a neural gas-based approach for pharmacophore elucidation. method design, validation, and virtual screening for novel ligands of LTA4H CSAR Benchmark Exercise 2013: Evaluation of Results from a Combined Computational Protein Design, Docking, and Scoring/Ranking Challenge Molecular Dynamics Simulations and Structural Analysis of Giardia duodenalis 14-3-3 Protein-Protein Interactions Differential Water Thermodynamics Determine PI3K-Beta/Delta Selectivity for Solvent-Exposed Ligand Modifications Chemical Markup, XML, and the Worldwide Web. 1. Basic Principles Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited The development of versions 3 and 4 of the Cambridge Structural Database System SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules The United Kingdom Chemical Database Service Chemical Similarity Searching SMILES. 2. Algorithm for generation of unique SMILES notation Comparison of Automatic Three-Dimensional Model Builders Using 639 X-ray Structures Analysis of the internal representations developed by neural networks for structures applied to quantitative structure--activity relationship studies of benzodiazepines A database-centric virtual chemistry system Support vector regression scoring of receptor-ligand complexes for rank-ordering and virtual screening of chemical libraries Docking ligands into flexible and solvated macromolecules. 4. Are popular scoring functions accurate for this class of proteins?Computation of octanol-water partition coefficients by guiding an additive model with knowledge Interpreting Thermodynamic Profiles of Aminoadamantane Compounds Inhibiting the M2 Proton Channel of Influenza A by Free Energy Calculations Ensemble-Based Virtual Screening Led to the Discovery of New Classes of Potent Tyrosinase Inhibitors Insights into the role of magnesium triad in myo-inositol monophosphatase: metal mechanism, substrate binding, and lithium therapy Receptor- and ligand-based study on novel 2,2'-bithienyl derivatives as non-peptidic AANAT inhibitors

P1433

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P1433

Journal of Chemical Information and Modeling

http://www.wikidata.org/entity/Q3007982

description

begutachtete wissenschaftliche Fachzeitschrift

@de

peer-reviewed scientific journal

@en

revista científica

@es

rivista scientifica

@it

vědecký časopis

@cs

wetenschappelijk tijdschrift van American Chemical Society

@nl

рецензований науковий журнал

@uk

वैज्ञानिक पत्रिका

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英语期刊

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name

Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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type

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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altLabel

J Chem Inf Model

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J Chem Inf Model.

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J Chem Inf. Model.

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J Chem. Inf. Model.

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J. Chem. Inf. Comput. Sci.

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J. Chem. Inf. Model.

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JCICS

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JCIM

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JCIM

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Journal of Chemical Documentation

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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Journal of Chemical Information and Modeling

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