about
Open Data, Open Source and Open Standards in chemistry: The Blue Obelisk five years onExtending CATH: increasing coverage of the protein structure universe and linking structure with functionChemical structure identification in metabolomics: computational modeling of experimental featuresEC-BLAST: a tool to automatically search and compare enzyme reactionsFMCS: a novel algorithm for the multiple MCS problemSmiles2Monomers: a link between chemical and biological structures for polymersClassyFire: automated chemical classification with a comprehensive, computable taxonomyA practical Java tool for small-molecule compound appraisalReaction Decoder Tool (RDT): extracting features from chemical reactionsA Method for Finding Metabolic Pathways Using Atomic Group TrackingChemMine tools: an online service for analyzing and clustering small moleculesTarget prediction for an open access set of compounds active against Mycobacterium tuberculosisDrug Promiscuity in PDB: Protein Binding Site Similarity Is KeyPredicting drug-target interactions using drug-drug interactionsKnowledge-based fragment binding predictioneMatchSite: sequence order-independent structure alignments of ligand binding pockets in protein modelsOpen source molecular modelingChemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integrationA Workflow to Investigate Exposure and Pharmacokinetic Influences on High-Throughput in Vitro Chemical Screening Based on Adverse Outcome PathwaysEfficient ring perception for the Chemistry Development KitThe Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searchingEntropy-scaling search of massive biological dataThe utility of geometrical and chemical restraint information extracted from predicted ligand-binding sites in protein structure refinementDiscovery of Mycobacterium tuberculosis InhA Inhibitors by Binding Sites Comparison and Ligands Prediction.The Catalytic Site Atlas 2.0: cataloging catalytic sites and residues identified in enzymes.MKEM: a Multi-level Knowledge Emergence Model for mining undiscovered public knowledge.Is EC class predictable from reaction mechanism?An efficient algorithm for de novo predictions of biochemical pathways between chemical compoundsBioSM: metabolomics tool for identifying endogenous mammalian biochemical structures in chemical structure spaceShaping the interaction landscape of bioactive molecules.Constructing and characterizing a bioactive small molecule and microRNA association network for Alzheimer's disease.A molecular structure matching approach to efficient identification of endogenous mammalian biochemical structures.Protein homology reveals new targets for bioactive small molecules.Identification of links between small molecules and miRNAs in human cancers based on transcriptional responses.The use of graph matching algorithms to identify biochemical substructures in synthetic chemical compounds: Application to metabolomics.Large-Scale Analysis Exploring Evolution of Catalytic Machineries and Mechanisms in Enzyme Superfamilies.Inhibitory effect of traditional oriental medicine-derived monoamine oxidase B inhibitor on radioresistance of non-small cell lung cancer.Yeast-based automated high-throughput screens to identify anti-parasitic lead compoundsLigSearch: a knowledge-based web server to identify likely ligands for a protein targetIdentification of associations between small molecule drugs and miRNAs based on functional similarity.
P2860
Q21092921-828046B1-4DF2-4E7C-9671-21B4C27A1C44Q24616969-4F8C5A93-99BF-4EE3-AF18-E28FF3EF4C1CQ26851316-54274E98-BABA-4F27-BB6B-9C28CE454EF7Q27162921-E2844AB9-2379-4903-B599-55CBB5844E5BQ27885304-546EBA6B-AEE8-490B-89AC-D4FBEF53BD61Q27902246-725DE67F-9494-4558-AA93-A4ECD13D28F6Q27902281-5CA9724B-543F-46D8-80DB-D497CD52F947Q27902284-B2722668-F6B8-4DE4-8E57-9CD564C9B762Q28038504-4E608645-D33C-42C7-8923-1BCE3582F0FDQ28468365-68AB0085-1F16-4183-AA5A-6BA941DB7916Q28530229-F3744E16-58BA-47EC-ACBC-0ADC88CAFC5AQ28534065-FC7731B2-2137-4F51-928F-C62E234DE93AQ28534178-0FD74D6A-1D70-4F77-97DD-CFA682CC13F0Q28535368-97F4C4C7-64B0-4EE5-9351-72537F4AE39BQ28538204-C78613F6-ED07-4A12-80AD-2C50A45F6ACEQ28543048-740CD6BD-284A-4EE7-8503-3D73E05C06D1Q28598346-DE01657C-EAC1-4A34-A43E-1F9CBD98BF3FQ28743293-63E17449-F175-45C8-BF81-2D126B20012AQ30044590-D898C906-E406-4E2C-909C-91FEE74DF78DQ30149545-4D9F0CBD-ABD9-4C24-BFD0-990AD1F4979FQ30149558-d581b223-438b-5c79-1c5c-384e80482d7cQ30379921-11CEFFB5-141D-4ED3-8106-CA51CF6F43BFQ30393852-D3ED32D6-CAD9-4836-BB8C-BCAF25209291Q30396236-0D132042-CF7D-4412-A5C0-079596871DDAQ30414209-197731F7-BA98-4DB5-A561-250749904BA6Q33560529-352F56D9-3CB0-4641-934B-1C64F61CFD6AQ34244212-CC5C264E-F7F9-4701-B1B2-34BBEB6D3AD0Q34530664-CAD7DA34-E017-43E9-B766-6390562F5C83Q34553685-FF30C24F-BC27-428A-95D3-FB9B14323A37Q34992054-6EF0F9BA-36E3-4164-A23F-B0DA20E8DE8EQ35071638-790606AB-A55E-428C-A0A4-688BBBC4253DQ35477282-EE89663D-E148-46F3-BC28-93E844893941Q35611201-2D724A7A-1B25-4905-A3DB-EE58D32FFC94Q35767380-E736F1BD-B005-47E3-B8E9-7BFB92BF3ABBQ36122148-C6A69B1D-FD18-4599-9C4B-93F2AB79679FQ36575480-CFCF179A-D66D-4CD5-A28C-D6406A674ED3Q36611260-4466906A-D275-4AB8-B251-C2617CE5A8D8Q36702409-3F7C32C6-E2F0-419E-9224-433A557B31D2Q37367232-95B4015A-7DE3-4981-B173-06A1135FD595Q37437619-F7DA2072-B68C-4CAC-AEF9-64EE7DE3C110
P2860
description
2009 nî lūn-bûn
@nan
2009 թուականի Օգոստոսին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի օգոստոսին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Small Molecule Subgraph Detector (SMSD) toolkit
@ast
Small Molecule Subgraph Detector (SMSD) toolkit
@en
Small Molecule Subgraph Detector (SMSD) toolkit
@en-gb
Small Molecule Subgraph Detector (SMSD) toolkit
@nl
type
label
Small Molecule Subgraph Detector (SMSD) toolkit
@ast
Small Molecule Subgraph Detector (SMSD) toolkit
@en
Small Molecule Subgraph Detector (SMSD) toolkit
@en-gb
Small Molecule Subgraph Detector (SMSD) toolkit
@nl
prefLabel
Small Molecule Subgraph Detector (SMSD) toolkit
@ast
Small Molecule Subgraph Detector (SMSD) toolkit
@en
Small Molecule Subgraph Detector (SMSD) toolkit
@en-gb
Small Molecule Subgraph Detector (SMSD) toolkit
@nl
P2860
P50
P3181
P356
P1476
Small Molecule Subgraph Detector (SMSD) toolkit
@en
P2093
Rainer Schrader
P2860
P2888
P3181
P356
10.1186/1758-2946-1-12
P407
P577
2009-08-10T00:00:00Z
P5875
P6179
1039022556