The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification.
about
Global phenotypic screening for antimalarialsHit identification and optimization in virtual screening: practical recommendations based on a critical literature analysisStructure-based classification and ontology in chemistryFirefly Luciferase in Chemical Biology: A Compendium of Inhibitors, Mechanistic Evaluation of Chemotypes, and Suggested Use As a ReporterScaffold-Focused Virtual Screening: Prospective Application to the Discovery of TTK InhibitorsNatural-product-derived fragments for fragment-based ligand discoveryThe Molecule Cloud - compact visualization of large collections of moleculesFiehnLib: Mass Spectral and Retention Index Libraries for Metabolomics Based on Quadrupole and Time-of-Flight Gas Chromatography/Mass SpectrometryImaging of Plasmodium Liver Stages to Drive Next-Generation Antimalarial Drug DiscoveryCapturing nature's diversityBigger data, collaborative tools and the future of predictive drug discoverySelf organising hypothesis networks: a new approach for representing and structuring SAR knowledgeScaffold analysis of PubChem database as background for hierarchical scaffold-based visualizationAnalysis of in vitro bioactivity data extracted from drug discovery literature and patents: Ranking 1654 human protein targets by assayed compounds and molecular scaffoldsMolpher: a software framework for systematic chemical space explorationMining Natural-Products Screening Data for Target-Class Chemical Motifs.Visual Analysis of Biological Activity Data with Scaffold Hunter.Hit Expansion from Screening Data Based upon Conditional Probabilities of Activity Derived from SAR Matrices.Data-driven approaches used for compound library design, hit triage and bioactivity modeling in high-throughput screening.Natural products as an inspiration in the diversity-oriented synthesis of bioactive compound libraries.Synthesis of unprecedented scaffold diversity.Recent trends and observations in the design of high-quality screening collections.Indexing molecules with chemical graph identifiers.Scaffold diversity of exemplified medicinal chemistry space.Biology-oriented synthesis.Utility-aware screening with clique-oriented prioritization.Molecular scaffold analysis of natural products databases in the public domain.Cheminformatics aspects of high throughput screening: from robots to models: symposium summaryDrug-likeness analysis of traditional Chinese medicines: 2. Characterization of scaffold architectures for drug-like compounds, non-drug-like compounds, and natural compounds from traditional Chinese medicinesManaging missing measurements in small-molecule screens.Toward an efficient approach to identify molecular scaffolds possessing selective or promiscuous compounds.Scaffold network generator: a tool for mining molecular structures.Shaping the interaction landscape of bioactive molecules.Design and generation of highly diverse fluorinated fragment libraries and their efficient screening with improved (19) F NMR methodology.Investigations on inhibitors of hedgehog signal pathway: a quantitative structure-activity relationship studyA unified lead-oriented synthesis of over fifty molecular scaffolds.Structural diversity and potency range distribution of scaffolds from compounds active against current pharmaceutical targets.Exploring the structure-activity relationships of ABCC2 modulators using a screening approach.Deciphering the Structural Requirements of Nucleoside Bisubstrate Analogues for Inhibition of MbtA in Mycobacterium tuberculosis: A FB-QSAR Study and Combinatorial Library Generation for Identifying Potential Hits.On the origins of three-dimensionality in drug-like molecules.
P2860
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P2860
The scaffold tree--visualization of the scaffold universe by hierarchical scaffold classification.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
@zh-hant
name
The scaffold tree--visualizati ...... hical scaffold classification.
@en
The scaffold tree--visualizati ...... hical scaffold classification.
@nl
type
label
The scaffold tree--visualizati ...... hical scaffold classification.
@en
The scaffold tree--visualizati ...... hical scaffold classification.
@nl
prefLabel
The scaffold tree--visualizati ...... hical scaffold classification.
@en
The scaffold tree--visualizati ...... hical scaffold classification.
@nl
P2093
P356
P1476
The scaffold tree--visualizati ...... hical scaffold classification.
@en
P2093
Ansgar Schuffenhauer
Marcus A Koch
Silvio Roggo
Stefan Wetzel
P356
10.1021/CI600338X
P577
2007-01-01T00:00:00Z