Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries.
about
Consensus Diversity Plots: a global diversity analysis of chemical librariesAnalysis 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 explorationChemoinformatic analysis of combinatorial libraries, drugs, natural products, and molecular libraries small molecule repository.Design of chemical libraries with potentially bioactive molecules applying a maximum common substructure concept.Indexing molecules with chemical graph identifiers.Benzotriazoles and indazoles are scaffolds with biological activity against Entamoeba histolytica.Molecular scaffold analysis of natural products databases in the public domain.A cell-based fascin bioassay identifies compounds with potential anti-metastasis or cognition-enhancing functions.Toward an efficient approach to identify molecular scaffolds possessing selective or promiscuous compounds.Quantifying the tendency of therapeutic target proteins to bind promiscuous or selective compoundsScaffold Diversity of Fungal MetabolitesComputational methods for the discovery of mood disorder therapies.Hierarchical strategy for identifying active chemotype classes in compound databases.Rule-Based Classification of Chemical Structures by Scaffold.Graph Kernels for Molecular Similarity.Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization.Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling.Effectiveness of 2D fingerprints for scaffold hopping.Structural and Activity Profile Relationships Between Drug ScaffoldsStructure-guided fragment-based in silico drug design of dengue protease inhibitors.Rationalizing structure and target relationships between current drugs.Scaffold topologies. 1. Exhaustive enumeration up to eight ringsNatural products as DNA methyltransferase inhibitors: a computer-aided discovery approach.Cheminformatic characterization of natural products from Panama.Activity cliffs and activity cliff generators based on chemotype-related activity landscapes.Similarity-based virtual screening with a bayesian inference network.A chemical space odyssey of inhibitors of histone deacetylases and bromodomains
P2860
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P2860
Using molecular equivalence numbers to visually explore structural features that distinguish chemical libraries.
description
2002 nî lūn-bûn
@nan
2002 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2002 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2002年の論文
@ja
2002年論文
@yue
2002年論文
@zh-hant
2002年論文
@zh-hk
2002年論文
@zh-mo
2002年論文
@zh-tw
2002年论文
@wuu
name
Using molecular equivalence nu ...... istinguish chemical libraries.
@ast
Using molecular equivalence nu ...... istinguish chemical libraries.
@en
type
label
Using molecular equivalence nu ...... istinguish chemical libraries.
@ast
Using molecular equivalence nu ...... istinguish chemical libraries.
@en
prefLabel
Using molecular equivalence nu ...... istinguish chemical libraries.
@ast
Using molecular equivalence nu ...... istinguish chemical libraries.
@en
P356
P1476
Using molecular equivalence nu ...... istinguish chemical libraries.
@en
P2093
Mark Johnson
Yong-Jin Xu
P304
P356
10.1021/CI025535L
P577
2002-07-01T00:00:00Z