Keywords: شیمی درمانی; Acoplamiento molecular; Descubrimiento de fármacos; Modelado molecular; Quimioinformática; Relaciones estructura-actividad; Molecular docking; Drug discovery; Molecular modeling; Chemoinformatics; Structure-activity relationships;
مقالات ISI شیمی درمانی (ترجمه نشده)
مقالات زیر هنوز به فارسی ترجمه نشده اند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
در صورتی که به ترجمه آماده هر یک از مقالات زیر نیاز داشته باشید، می توانید سفارش دهید تا مترجمان با تجربه این مجموعه در اسرع وقت آن را برای شما ترجمه نمایند.
Keywords: شیمی درمانی; Chemoinformatics; Graph kernel; Paths of features; Relationship between features; Activity prediction;
Keywords: شیمی درمانی; Combinatorial screen; High throughput screen; Tuberculosis; Copper; Chemoinformatics
Keywords: شیمی درمانی; Chemoinformatics; Bioinformatics; Protein-protein interactions; Compound collection; Binding pockets; Virtual screening; Blood coagulation; Chémoinformatique; Bioinformatique; Interactions protéine-protéine; Chimiothèque; Poches de fixation de ligands
Keywords: شیمی درمانی; Chemoinformatics; Graph kernel; Machine learning; Activity prediction; Drug discovery
Keywords: شیمی درمانی; Antituberculosis drugs; Carbothioamide compounds; Chemoinformatics; Docking simulation; Ethionamide; Prothionamide; Tyrosinase inhibitors;
Keywords: شیمی درمانی; Chemoinformatics; Bioinformatics; Focused library; Protein-protein interaction inhibitors; Compound collection; Virtual screening;
FilTer BaSe: A web accessible chemical database for small compound libraries
Keywords: شیمی درمانی; ADMET; absorption distribution metabolism excretion and toxicity; MW; molecular weight; tPSA; topological polar surface area; PAINS; pan assay interference compounds; QASR; quantitative structure-activity relationship; Compound libraries; FilTer BaSe; V
Chemoinformatics and stereoisomerism: A stereo graph kernel together with three new extensions
Keywords: شیمی درمانی; Chemoinformatics; Stereoisomerism; Graph kernel;
PKOM: A tool for clustering, analysis and comparison of big chemical collections
Keywords: شیمی درمانی; Self-organizing maps; Tree maps; Chemoinformatics; Clustering; Organization of chemical collections;
Avances en el diseño de fármacos asistido por computadora
Keywords: شیمی درمانی; Quimiogenómica; Quimioinformática; Modelado molecular; Relaciones estructura-actividad; Cribado virtualChemogenomics; Chemoinformatics; Molecular modeling; Structure-activity relationships; Virtual screening
Rule-based ab initio kinetic model for alkyl sulfide pyrolysis
Keywords: شیمی درمانی; Kinetic model generation; Alkyl sulfide pyrolysis; Chemoinformatics; Group additivity
Treelet kernel incorporating cyclic, stereo and inter pattern information in chemoinformatics
Keywords: شیمی درمانی; Chemoinformatics; Graph kernel; Machine learning
Computational studies to predict or explain G protein coupled receptor polypharmacology
Keywords: شیمی درمانی; G protein-coupled receptors; molecular modeling; bioinformatics; chemoinformatics
QSAR models for thiophene and imidazopyridine derivatives inhibitors of the Polo-Like Kinase 1
Keywords: شیمی درمانی; Chemoinformatics; Multivariate linear regression analysis; Polo-Like Kinase 1 (PLK1) inhibitors; Molecular modeling; Thiophene and imidazopyridines derivatives
Chemoinformatics: A view of the field and current trends in method development
Keywords: شیمی درمانی; MCS; maximum common subgraph; MMP; matched molecular pair; QSAR; quantitative structure-activity relationship; ROC; receiver operating characteristic; SMILES; simplified molecular input line entry specification; SVM; support vector machine; Chemoinforma
Two new graphs kernels in chemoinformatics
Keywords: شیمی درمانی; Chemoinformatics; Graph kernel; Machine learning
Large-scale prediction of drug–target interactions using protein sequences and drug topological structures
Keywords: شیمی درمانی; Drug–target interactions; Chemoinformatics; Molecular fingerprint; Support vector machines; Extended structure–activity relationship
Fitting the complexity of GPCRs modulation into simple hypotheses of ligand design
Keywords: شیمی درمانی; Drug design; Chemoinformatics; Structure–activity relationships; G-protein coupled receptors; Drug discovery
GEMINI — DiagPlot: 2D & 3D ternary phase diagrams
Keywords: شیمی درمانی; Thermodynamics; Calphad; Phase diagram; 3D; Chemoinformatics
CLEVER: Pipeline for designing in silico chemical libraries
Keywords: شیمی درمانی; Virtual combinatorial library; Markush technique; Compound analysis; Chemoinformatics; Chemistry
Comparative evaluation of bioactivity of crystalline trypsin for drying by Fourier-transformed infrared spectroscopy
Keywords: شیمی درمانی; Trypsin; Drying process; Fourier-transformed infrared spectroscopy; Enzymatic stability; Chemoinformatics; Generalized two-dimensional correlation spectroscopy
Ultrafast shape recognition: Evaluating a new ligand-based virtual screening technology
Keywords: شیمی درمانی; Molecular shape comparison; Ligand-based virtual screening; Drug Lead identification; Similarity search; Chemoinformatics
Reappraising a decade old explanatory model for pharmacognosy
Keywords: شیمی درمانی; Explanatory model; Pharmacognosy; Phylogenetics; Systems biology; Chemoinformatics;
Computer-aided reverse design for ionic liquids by QSPR using descriptors of group contribution type for ionic conductivities and viscosities
Keywords: شیمی درمانی; Ionic liquids; Prediction; Ionic conductivity; Viscosity; Chemoinformatics
Sesquiterpene lactone-based classification of three Asteraceae tribes: a study based on self-organizing neural networks applied to chemosystematics
Keywords: شیمی درمانی; Asteraceae; Chemoinformatics; Chemosystematics; Chemotaxonomy; Kohonen networks; Sesquiterpene lactones; 3D structures; Taxonomic markers;