Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
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CheS-Mapper 2.0 for visual validation of (Q)SAR modelsQSAR modeling: where have you been? Where are you going to?Inhibitors of Helicobacter pylori protease HtrA found by 'virtual ligand' screening combat bacterial invasion of epitheliaWhich compound to select in lead optimization? Prospectively validated proteochemometric models guide preclinical developmentLions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular designA fingerprint pair analysis of hERG inhibition dataData set modelability by QSARTargeted kinase selectivity from kinase profiling data.On the validity versus utility of activity landscapes: are all activity cliffs statistically significant?Local neighborhood behavior in a combinatorial library context.Exploiting PubChem for Virtual Screening.Advances in computational methods to predict the biological activity of compounds.Microwave-assisted synthesis of potent PDE7 inhibitors containing a thienopyrimidin-4-amine scaffold.Conditional probabilistic analysis for prediction of the activity landscape and relative compound activities.Exploring Structure-Activity Data Using the Landscape Paradigm.Network measures for chemical library design.Interrogating alkyl and arylalkylpolyamino (bis)urea and (bis)thiourea isosteres as potent antimalarial chemotypes against multiple lifecycle forms of Plasmodium falciparum parasites.Linear and Nonlinear Support Vector Machine for the Classification of Human 5-HT1A Ligand Functionality.The ups and downs of structure-activity landscapes.Systematic computational analysis of structure-activity relationships: concepts, challenges and recent advances.Graph-based similarity concepts in virtual screening.Challenges for computational structure-activity modelling for predicting chemical toxicity: future improvements?Modeling of activity landscapes for drug discovery.Graphs and networks in chemical and biological informatics: past, present and future.On exploring structure-activity relationships.Advances in quantitative structure-activity relationship models of anti-Alzheimer's agents.Activity cliff networks for medicinal chemistry.Synthetic biology for the directed evolution of protein biocatalysts: navigating sequence space intelligently.Activity landscape of DNA methyltransferase inhibitors bridges chemoinformatics with epigenetic drug discovery.QSAR studies in the discovery of novel type-II diabetic therapies.Chemoinformatics as a Theoretical Chemistry Discipline.Matched Molecular Pair Analysis in Short: Algorithms, Applications and LimitationsChemTreeMap: an interactive map of biochemical similarity in molecular datasets.Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.Activity Landscapes, Information Theory, and Structure - Activity Relationships.Estimation of the applicability domain of kernel-based machine learning models for virtual screeningActivity landscape analysis of novel 5[Formula: see text]-reductase inhibitors.2D depiction of fragment hierarchies.Structure-based predictions of activity cliffs.Exploring uncharted territories: predicting activity cliffs in structure-activity landscapes.
P2860
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P2860
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
description
2008 nî lūn-bûn
@nan
2008 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի մարտին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@ast
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@en
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@nl
type
label
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@ast
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@en
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@nl
prefLabel
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@ast
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@en
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@nl
P356
P1476
Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs
@en
P2093
John H. Van Drie
P304
P356
10.1021/CI7004093
P577
2008-03-01T00:00:00Z