Keywords: فضای شیمیایی; Cosmetics; Drugs; Pesticides; Chemical space; QSAR models; Prediction;
مقالات ISI فضای شیمیایی (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: فضای شیمیایی; ADMET; adsorption distribution metabolism excretion and toxicity; CtD; complexity-to-diversity; DCC; N,Nâ²-dicyclohexylcarbodiimide; DCE; 1,2-dichloroethane; DIPEA; N,Nâ²-diisopropylethylamine; DMAP; 4-dimethylaminopyridine; DMF; N,Nâ²-dimethylformamid
Keywords: فضای شیمیایی; Macrocycles; Diversity-oriented synthesis; Scaffold; Chemical space;
Keywords: فضای شیمیایی; Kinase; Chemical space; Fragment-based drug discovery; Fragmentation; Tricyclic ring systems
Keywords: فضای شیمیایی; Chemical space; Middle space; Bacterial permeability; Fluoroquinolone; DNA gyrase; Antibacterial; Antibiotic; Dimer
Keywords: فضای شیمیایی; Drug repositioning/repurposing; Computational drug repositioning; Drug rescue; Reverse virtual screening; Chemical space; mPGES-1
Aminoadamantanes containing monoterpene-derived fragments as potent tyrosyl-DNA phosphodiesterase 1 inhibitors
Keywords: فضای شیمیایی; CXTYQHBRDVJROL-UHEPKEFZSA-N; XNQOUINXDUSWSQ-UHFFFAOYSA-N; Natural products; Fluorescent assay; Tdp1, molecular modelling; Chemical space; Amine; Cytotoxicity; Adamantanes;
Discovery of novel piperidine-substituted indolylarylsulfones as potent HIV NNRTIs via structure-guided scaffold morphing and fragment rearrangement
Keywords: فضای شیمیایی; HIV; NNRTIs; Indolylarylsulfones; Antiviral activity; SAR; Molecular modeling; Chemical space; Drug design;
Biosynthesis of natural and novel C-glycosylflavones utilising recombinant Oryza sativa C-glycosyltransferase (OsCGT) and Desmodium incanum root proteins
Keywords: فضای شیمیایی; Oryza sativa; Poaceae; C-Glycosyltransferase; OsCGT; 2-Hydroxyflavanone; C-Glucosylflavone; Di-C-glycosylflavone; Biotechnological synthesis; Substrate specificity; Chemical space;
QSAR modeling of aromatase inhibitory activity of 1-substituted 1,2,3-triazole analogs of letrozole
Keywords: فضای شیمیایی; Aromatase; Breast cancer; Triazole; Letrozole; QSAR; Structure–activity relationship; Chemical space
Cluster analysis of the DrugBank chemical space using molecular quantum numbers
Keywords: فضای شیمیایی; Chemical space; Clustering; DrugBank; Virtual screening; Cheminformatics; Descriptors; Fingerprints;
Identification of benzoylisoquinolines as potential anti-Chagas agents
Keywords: فضای شیمیایی; Benzoyl isoquinolones; Trypanosoma cruzi; Chemical space; Structural similarity;
Chemotography for multi-target SAR analysis in the context of biological pathways
Keywords: فضای شیمیایی; GPCR; G-protein coupled receptor; LGIC; ligand-gated ion channel; SAR; structure-activity relationship; Chemical space; Color; Visualization; Molecular fingerprints; Chemogenomics; Systems pharmacology; Molecular pathways;
The Chardonnay wine olfactory concept revisited: A stable core of volatile compounds, and fuzzy boundaries
Keywords: فضای شیمیایی; Chardonnay wines; Sensory evaluation; Typicality level; Experts; Gas chromatography-mass spectrometry-selected ion monitoring (GC-MS-SIM); Volatile compounds; Chemical space;
Kernel-based data fusion improves the drug–protein interaction prediction
Keywords: فضای شیمیایی; Drug–target interaction; Chemical space; Pharmacological space; Therapeutic space; Genomic space; Kernel function; Support vector machine
QSAR-based permeability model for drug-like compounds
Keywords: فضای شیمیایی; Chemical space; Computational chemistry; Drug discovery; Quantitative structure–activity relationships (QSAR); Permeability
The Privileged Chemical Space Predictor (pcsp): A computer program that identifies privileged chemical space from screens of modularly assembled chemical libraries
Keywords: فضای شیمیایی; RNA; Chemical biology; High-throughput screening; Chemical microarrays; Computer program; Chemical space
QSAR-based solubility model for drug-like compounds
Keywords: فضای شیمیایی; Chemical space; Computational chemistry; Drug discovery; Quantitative structure–activity relationships (QSAR); Solubility
A road less traveled by: Exploring a decade of Ellman chemistry
Keywords: فضای شیمیایی; Chemical space;
The chemist as astronaut: Searching for biologically useful space in the chemical universe
Keywords: فضای شیمیایی; Chemical space; Pharmacological space; Fragment assembly; Privileged structures; Natural products; Scaffolds
Potential synergism and inhibitors to multiple target enzymes of Xuefu Zhuyu Decoction in cardiac disease therapeutics: A computational approach
Keywords: فضای شیمیایی; Traditional Chinese Herbs (TCHs); Xuefu Zhuyu Decoction (XFZYD); Chemical space; Virtual screening; ADME prediction; Medicinal chemistry
Flexible 3D pharmacophores as descriptors of dynamic biological space
Keywords: فضای شیمیایی; Pharmacophore; FEPOPS; Virtual screening; 3D descriptors; Chemical space; Biological space
Exploring the other side of biologically relevant chemical space: Insights into carboxylic, sulfonic and phosphonic acid bioisosteric relationships
Keywords: فضای شیمیایی; Molecular recognition; Bioisosterism; Molecular descriptors; Chemical space; Biological space
Chemical space of orally active compounds
Keywords: فضای شیمیایی; Chemical space; Neural networks; Multivariate analysis; Self-organizing maps; Clustering; BCS