The Calculation of Molecular Structural Similarity: Principles and Practice.
about
Comparing structural fingerprints using a literature-based similarity benchmarkAtom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hitsInternet Databases of the Properties, Enzymatic Reactions, and Metabolism of Small Molecules-Search Options and Applications in Food ScienceMetMaxStruct: A Tversky-Similarity-Based Strategy for Analysing the (Sub)Structural Similarities of Drugs and Endogenous MetabolitesNovel Approach to Classify Plants Based on Metabolite-Content SimilarityMatrix-based Molecular Descriptors for Prospective Virtual Compound Screening.How Reliable Are Ligand-Centric Methods for Target Fishing?Scaffold Diversity Synthesis and Its Application in Probe and Drug Discovery.Predicting the Reliability of Drug-target Interaction Predictions with Maximum Coverage of Target Space.Fragment-Based Analysis of Ligand Dockings Improves Classification of Actives.Analysis of drug-endogenous human metabolite similarities in terms of their maximum common substructures.Rcpi: R/Bioconductor package to generate various descriptors of proteins, compounds and their interactions.Cross-Classified Multilevel Modelling of the Effectiveness of Similarity-Based Virtual Screening.Maximum common substructure-based Tversky index: an asymmetric hybrid similarity measure.De novo Drug Design - Ye olde Scoring Problem Revisited.Multivariate statistical analysis of a large odorants database aimed at revealing similarities and links between odorants and odors
P2860
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P2860
The Calculation of Molecular Structural Similarity: Principles and Practice.
description
2014 nî lūn-bûn
@nan
2014年の論文
@ja
2014年学术文章
@wuu
2014年学术文章
@zh-cn
2014年学术文章
@zh-hans
2014年学术文章
@zh-my
2014年学术文章
@zh-sg
2014年學術文章
@yue
2014年學術文章
@zh
2014年學術文章
@zh-hant
name
The Calculation of Molecular Structural Similarity: Principles and Practice.
@en
The Calculation of Molecular Structural Similarity: Principles and Practice.
@nl
type
label
The Calculation of Molecular Structural Similarity: Principles and Practice.
@en
The Calculation of Molecular Structural Similarity: Principles and Practice.
@nl
prefLabel
The Calculation of Molecular Structural Similarity: Principles and Practice.
@en
The Calculation of Molecular Structural Similarity: Principles and Practice.
@nl
P2860
P356
P1476
The Calculation of Molecular Structural Similarity: Principles and Practice.
@en
P2093
Peter Willett
P2860
P304
P356
10.1002/MINF.201400024
P577
2014-04-29T00:00:00Z