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Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

http://www.wikidata.org/entity/Q51604040

about

Activity cliffs: facts or artifacts?Rationalization of activity cliffs of a sulfonamide inhibitor of DNA methyltransferases with induced-fit docking.Activity and property landscape modeling is at the interface of chemoinformatics and medicinal chemistry.Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery.Advances in Activity Cliff Research.Chemoinformatic characterization of activity and selectivity switches of antiprotozoal compounds.Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.Activity landscape analysis of novel 5[Formula: see text]-reductase inhibitors.R-based Tool for a Pairwise Structure-Activity Relationship Analysis.Activity cliffs and activity cliff generators based on chemotype-related activity landscapes.Getting SMARt in drug discovery: chemoinformatics approaches for mining structure–multiple activity relationships

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P2860

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

http://www.wikidata.org/entity/Q51604040

description

2012 nî lūn-bûn

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2012年の論文

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2012年学术文章

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2012年学术文章

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2012年学术文章

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2012年学术文章

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2012年學術文章

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2012年學術文章

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name

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

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Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

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Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

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Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

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Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

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Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

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Molecular Informatics

P1476

Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.

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Jaime Pérez-Villanueva

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José L Medina-Franco

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Rafael Castillo

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P2860

BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

Substituted 2-[(4-aminomethyl)phenoxy]-2-methylpropionic acid PPARalpha agonists. 1. Discovery of a novel series of potent HDLc raising agents

Identification of a PPARdelta agonist with partial agonistic activity on PPARgamma

Chemical Similarity Searching

The PPARs: from orphan receptors to drug discovery

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

Navigating structure–activity landscapes

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Characterization of activity landscapes using 2D and 3D similarity methods: consensus activity cliffs.

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837-846

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scholarly article

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10.1002/MINF.201200078

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11-12

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31

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Oscar Méndez-Lucio

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2012-11-14T00:00:00Z

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235972635

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27476737

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