Kernel approach to molecular similarity based on iterative graph similarity.
about
Comparison and enumeration of chemical graphsOptimal assignment methods for ligand-based virtual screeningLarge scale study of multiple-molecule queriesDOGS: reaction-driven de novo design of bioactive compoundsOnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationEntropy bounds for hierarchical molecular networks.Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.Mapping and classifying molecules from a high-throughput structural database.Graph-based similarity concepts in virtual screening.Graph Kernels for Molecular Similarity.Estimation of the applicability domain of kernel-based machine learning models for virtual screeningHarnessing the potential of natural products in drug discovery from a cheminformatics vantage point.Kernel learning for ligand-based virtual screening: discovery of a new PPARγ agonist.Graph kernels for chemoinformatics – a critical discussion.Estimation of Acid Dissociation Constants Using Graph KernelsUnderstanding machine-learned density functionalsImpact of X-Ray Structure on Predictivity of Scoring Functions: PPARγ Case StudyNew opportunities for materials informatics: Resources and data mining techniques for uncovering hidden relationships
P2860
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P2860
Kernel approach to molecular similarity based on iterative graph similarity.
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
Kernel approach to molecular similarity based on iterative graph similarity.
@en
Kernel approach to molecular similarity based on iterative graph similarity.
@nl
type
label
Kernel approach to molecular similarity based on iterative graph similarity.
@en
Kernel approach to molecular similarity based on iterative graph similarity.
@nl
prefLabel
Kernel approach to molecular similarity based on iterative graph similarity.
@en
Kernel approach to molecular similarity based on iterative graph similarity.
@nl
P50
P356
P1476
Kernel approach to molecular similarity based on iterative graph similarity.
@en
P304
P356
10.1021/CI700274R
P577
2007-11-07T00:00:00Z