Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
about
Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesChemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small moleculesCheminformatics Research at the Unilever Centre for Molecular Science Informatics CambridgeComputational chemogenomics: is it more than inductive transfer?A statistical physics perspective on alignment-independent protein sequence comparisonProtDCal: A program to compute general-purpose-numerical descriptors for sequences and 3D-structures of proteins.Applicability of predictive toxicology methods for monoclonal antibody therapeutics: status Quo and scope.protr/ProtrWeb: R package and web server for generating various numerical representation schemes of protein sequences.The recent progress in proteochemometric modelling: focusing on target descriptors, cross-term descriptors and application scope.Kinome-Wide Profiling Prediction of Small Molecules.Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?Benchmarking of protein descriptor sets in proteochemometric modeling (part 1): comparative study of 13 amino acid descriptor sets.Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set.Modelling ligand selectivity of serine proteases using integrative proteochemometric approaches improves model performance and allows the multi-target dependent interpretation of features.Identification of Allosteric Modulators of Metabotropic Glutamate 7 Receptor Using Proteochemometric Modeling.Pred-binding: large-scale protein-ligand binding affinity prediction.Proteochemometric Modeling of the Interaction Space of Carbonic Anhydrase and its Inhibitors: An Assessment of Structure-based and Sequence-based Descriptors.Prediction of PARP Inhibition with Proteochemometric Modelling and Conformal Prediction.Polypharmacology modelling using proteochemometrics (PCM): recent methodological developments, applications to target families, and future prospects
P2860
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P2860
Benchmarking of protein descriptor sets in proteochemometric modeling (part 2): modeling performance of 13 amino acid descriptor sets.
description
2013 nî lūn-bûn
@nan
2013年の論文
@ja
2013年論文
@yue
2013年論文
@zh-hant
2013年論文
@zh-hk
2013年論文
@zh-mo
2013年論文
@zh-tw
2013年论文
@wuu
2013年论文
@zh
2013年论文
@zh-cn
name
Benchmarking of protein descri ...... 13 amino acid descriptor sets.
@en
Benchmarking of protein descriptor sets in proteochemometric modeling
@nl
type
label
Benchmarking of protein descri ...... 13 amino acid descriptor sets.
@en
Benchmarking of protein descriptor sets in proteochemometric modeling
@nl
prefLabel
Benchmarking of protein descri ...... 13 amino acid descriptor sets.
@en
Benchmarking of protein descriptor sets in proteochemometric modeling
@nl
P2093
P2860
P50
P356
P1476
Benchmarking of protein descri ...... 13 amino acid descriptor sets.
@en
P2093
Andreas Bender
Herman Wt van Vlijmen
Jörg K Wegner
Remco F Swier
P2860
P2888
P356
10.1186/1758-2946-5-42
P577
2013-09-24T00:00:00Z
P5875
P6179
1043996729