Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening.
about
Chemogenomics: an emerging strategy for rapid target and drug discoveryToxEvaluator: an integrated computational platform to aid the interpretation of toxicology study-related findingsAdvances in Nuclear Magnetic Resonance for Drug Discovery.Drug discovery and the use of computational approaches for infectious diseases.Determining the optimal size of small molecule mixtures for high throughput NMR screening.Efficacy of different protein descriptors in predicting protein functional families.Diversity-oriented synthesis; a spectrum of approaches and results.Diversity-oriented synthesis.Biological spectra analysis: Linking biological activity profiles to molecular structure.Advances in computational methods to predict the biological activity of compounds.Strategies for the generation, validation and application of in silico ADMET models in lead generation and optimization.Design of chemical libraries for screening.A novel descriptor based on atom-pair propertiesIn silico pharmacology for drug discovery: methods for virtual ligand screening and profiling.Databases and QSAR for cancer research.3D QSAR, pharmacophore and molecular docking studies of known inhibitors and designing of novel inhibitors for M18 aspartyl aminopeptidase of Plasmodium falciparumPrediction of functional class of proteins and peptides irrespective of sequence homology by support vector machines.Application of Hybrid Functional Groups to Predict ATP Binding Proteins.Cytotoxicity of thiazolidinedione-, oxazolidinedione- and pyrrolidinedione-ring containing compounds in HepG2 cells.ToxiM: A Toxicity Prediction Tool for Small Molecules Developed Using Machine Learning and Chemoinformatics Approaches.Development of MLR and SVM Aided QSAR Models to Identify Common SAR of GABA Uptake Herbal Inhibitors used in the Treatment of Schizophrenia.Overview of high-throughput screening.Combining ligand-based and structure-based drug design in the virtual screening arenaScaffold-Hopping from Synthetic Drugs by Holistic Molecular RepresentationPrediction of Antimicrobial Potential of a Chemically Modified Peptide From Its Tertiary Structure
P2860
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P2860
Molecular descriptors in chemoinformatics, computational combinatorial chemistry, and virtual screening.
description
2000 nî lūn-bûn
@nan
2000 թուականի Հոկտեմբերին հրատարակուած գիտական յօդուած
@hyw
2000 թվականի հոտեմբերին հրատարակված գիտական հոդված
@hy
2000年の論文
@ja
2000年学术文章
@wuu
2000年学术文章
@zh-cn
2000年学术文章
@zh-hans
2000年学术文章
@zh-my
2000年学术文章
@zh-sg
2000年學術文章
@yue
name
Molecular descriptors in chemo ...... mistry, and virtual screening.
@ast
Molecular descriptors in chemo ...... mistry, and virtual screening.
@en
type
label
Molecular descriptors in chemo ...... mistry, and virtual screening.
@ast
Molecular descriptors in chemo ...... mistry, and virtual screening.
@en
prefLabel
Molecular descriptors in chemo ...... mistry, and virtual screening.
@ast
Molecular descriptors in chemo ...... mistry, and virtual screening.
@en
P356
P1476
Molecular descriptors in chemo ...... mistry, and virtual screening.
@en
P2093
P304
P356
10.2174/1386207003331454
P577
2000-10-01T00:00:00Z