KCF-S: KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics

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KCF-S: KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics is …
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scholarly articleQ13442814

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P8978DBLP publication IDjournals/bmcsb/KoteraTYMTKG13
P6179Dimensions Publication ID1051354871
P356DOI10.1186/1752-0509-7-S6-S2
P2888exact matchhttps://scigraph.springernature.com/pub.10.1186/1752-0509-7-s6-s2
P932PMC publication ID4029371
P698PubMed publication ID24564846

P2093author name stringMinoru Kanehisa
Susumu Goto
Toshiaki Tokimatsu
Masaaki Kotera
Yoshihiro Yamanishi
Yasuo Tabei
Yuki Moriya
P2860cites workMETA. 2. A dictionary model of mammalian xenobiotic metabolism.Q52366197
DrugBank 3.0: a comprehensive resource for 'omics' research on drugsQ24612505
KEGG for representation and analysis of molecular networks involving diseases and drugsQ24644514
ChEBI: a database and ontology for chemical entities of biological interestQ24650818
The Chemistry Development Kit (CDK): an open-source Java library for Chemo- and BioinformaticsQ27061829
Functional group and substructure searching as a tool in metabolomicsQ28472062
The University of Minnesota Pathway Prediction System: multi-level prediction and visualizationQ28743128
PubChem: a public information system for analyzing bioactivities of small moleculesQ28842768
Exploring the diversity of complex metabolic networks.Q33210262
PathPred: an enzyme-catalyzed metabolic pathway prediction serverQ33569917
An efficient algorithm for de novo predictions of biochemical pathways between chemical compoundsQ34530664
Computational assignment of the EC numbers for genomic-scale analysis of enzymatic reactionsQ38418372
KEGG OC: a large-scale automatic construction of taxonomy-based ortholog clustersQ38460563
Supervised de novo reconstruction of metabolic pathways from metabolome-scale compound setsQ41555681
Enhanced CACTVS browser of the Open NCI DatabaseQ42670491
Eliciting possible reaction equations and metabolic pathways involving orphan metabolitesQ44302036
Knowledge-based expert systems for toxicity and metabolism prediction: DEREK, StAR and METEOR.Q50124574
Development of a chemical structure comparison method for integrated analysis of chemical and genomic information in the metabolic pathways.Q52008917
P407language of work or nameEnglishQ1860
P921main subjectbioinformaticsQ128570
P304page(s)S2
P577publication date2013-12-13
P1433published inBMC Systems BiologyQ4835949
P1476titleKCF-S: KEGG Chemical Function and Substructure for improved interpretability and prediction in chemical bioinformatics
P478volume7 Suppl 6

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cites work (P2860)
Q38916721Benchmarking a Wide Range of Chemical Descriptors for Drug-Target Interaction Prediction Using a Chemogenomic Approach
Q28817678Elucidating the modes of action for bioactive compounds in a cell-specific manner by large-scale chemically-induced transcriptomics
Q90475872KampoDB, database of predicted targets and functional annotations of natural medicines
Q28074539Metabolic pathway reconstruction strategies for central metabolism and natural product biosynthesis
Q38461960Metabolome-scale de novo pathway reconstruction using regioisomer-sensitive graph alignments
Q33760384Metabolome-scale prediction of intermediate compounds in multistep metabolic pathways with a recursive supervised approach.
Q64070805Network-based characterization of drug-protein interaction signatures with a space-efficient approach
Q42700223Overcoming Obstacles to Drug Repositioning in Japan.
Q38421057PIERO ontology for analysis of biochemical transformations: effective implementation of reaction information in the IUBMB enzyme list
Q116965302PSnpBind-ML: predicting the effect of binding site mutations on protein-ligand binding affinity
Q28551581Property Graph vs RDF Triple Store: A Comparison on Glycan Substructure Search

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