Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
about
Computational modeling of membrane proteinsProfiling animal toxicants by automatically mining public bioassay data: a big data approach for computational toxicologyPerspective on computational and structural aspects of kinase discovery from IPK2014An unbiased method to build benchmarking sets for ligand-based virtual screening and its application to GPCRsPubChem applications in drug discovery: a bibliometric analysisComputational design of protein-small molecule interfaces.PubChem BioAssay: 2014 updateFocused chemical libraries--design and enrichment: an example of protein-protein interaction chemical space.Complete genome-wide screening and subtractive genomic approach revealed new virulence factors, potential drug targets against bio-war pathogen Brucella melitensis 16M.Getting the most out of PubChem for virtual screeningLigand-based virtual screen for the discovery of novel M5 inhibitor chemotypesCellular manganese content is developmentally regulated in human dopaminergic neurons.Improving quantitative structure-activity relationship models using Artificial Neural Networks trained with dropout.Autocorrelation descriptor improvements for QSAR: 2DA_Sign and 3DA_SignPredicting the Functional Impact of KCNQ1 Variants of Unknown Significance.Selecting Feature Subsets Based on SVM-RFE and the Overlapping Ratio with Applications in Bioinformatics.Consensus queries in ligand-based virtual screening experiments.Quantitative Structure-Activity Relationship Modeling of Kinase Selectivity Profiles.High-Throughput Screening Assay Datasets from the PubChem Database
P2860
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P2860
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
description
2013 nî lūn-bûn
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2013年の論文
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2013年学术文章
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2013年学术文章
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2013年学术文章
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name
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
@en
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
@nl
type
label
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
@en
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
@nl
prefLabel
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
@en
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
@nl
P2093
P2860
P1433
P1476
Benchmarking ligand-based virtual High-Throughput Screening with the PubChem database.
@en
P2093
C David Weaver
Edward W Lowe
Jeffrey L Mendenhall
Mariusz Butkiewicz
Ralf Mueller
P2860
P304
P356
10.3390/MOLECULES18010735
P407
P577
2013-01-08T00:00:00Z