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Rapid scanning structure-activity relationships in combinatorial data sets: identification of activity switches.Nonlinear dimensionality reduction for visualizing toxicity data: distance-based versus topology-based approaches.On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?Discovery of potent positive allosteric modulators of the α3β2 nicotinic acetylcholine receptor by a chemical space walk in ChEMBL.Expanding the fragrance chemical space for virtual screeningConditional probabilistic analysis for prediction of the activity landscape and relative compound activities.Progress in visual representations of chemical space.Comparative evaluation of 11 in silico models for the prediction of small molecule mutagenicity: role of steric hindrance and electron-withdrawing groups.Activity cliffs: facts or artifacts?Computer-aided drug discovery.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.Chemoinformatic characterization of activity and selectivity switches of antiprotozoal compounds.Activity Landscapes, Information Theory, and Structure - Activity Relationships.Activity landscape analysis of novel 5[Formula: see text]-reductase inhibitors.Structure-based predictions of activity cliffs.Impact of distance-based metric learning on classification and visualization model performance and structure-activity landscapes.Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articol științific
@ro
articolo scientifico
@it
artigo científico
@gl
artigo científico
@pt
artigo científico
@pt-br
artikel ilmiah
@id
artikull shkencor
@sq
artículo científico
@es
name
Modeling of activity landscapes for drug discovery.
@en
Modeling of activity landscapes for drug discovery.
@nl
type
label
Modeling of activity landscapes for drug discovery.
@en
Modeling of activity landscapes for drug discovery.
@nl
prefLabel
Modeling of activity landscapes for drug discovery.
@en
Modeling of activity landscapes for drug discovery.
@nl
P2860
P1476
Modeling of activity landscapes for drug discovery.
@en
P2860
P304
P356
10.1517/17460441.2012.679616
P407
P577
2012-04-05T00:00:00Z