about
Structure and dynamics of molecular networks: a novel paradigm of drug discovery: a comprehensive reviewLions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular designDeveloping Enhanced Blood-Brain Barrier Permeability Models: Integrating External Bio-Assay Data in QSAR ModelingConditional probabilistic analysis for prediction of the activity landscape and relative compound activities.Network measures for chemical library design.Prioritization of anti-malarial hits from nature: chemo-informatic profiling of natural products with in vitro antiplasmodial activities and currently registered anti-malarial drugs.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.Comparing structural and transcriptional drug networks reveals signatures of drug activity and toxicity in transcriptional responses.Toward a unifying strategy for the structure-based prediction of toxicological endpoints.Chemical transformations that yield compounds with distinct activity profiles.Extracting SAR Information from a Large Collection of Anti-Malarial Screening Hits by NSG-SPT Analysis.Modelling Structure Activity Landscapes with Cliffs: a Kernel Regression-Based Approach.Cyclic Systems Distribution Along Similarity Measures: Insights for an Application to Activity Landscape Modeling.Representation of multi-target activity landscapes through target pair-based compound encoding in self-organizing maps.Design of multi-target activity landscapes that capture hierarchical activity cliff distributions.Chemoinformatics: a perspective from an academic setting in Latin America.Mining small-molecule screens to repurpose drugs.Chemical transferability of functional groups follows from the nearsightedness of electronic matter.Activity cliffs and activity cliff generators based on chemotype-related activity landscapes.Exploring SAR continuity in the vicinity of activity cliffs.Identifying Activity Cliff Generators of PPAR Ligands Using SAS Maps.The Calculation of Molecular Structural Similarity: Principles and Practice.In Silico ADME/Tox PredictionsMOLECULAR SIMILARITY ANALYSIS
P2860
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P2860
description
2009 nî lūn-bûn
@nan
2009 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Navigating structure–activity landscapes
@ast
Navigating structure–activity landscapes
@en
Navigating structure–activity landscapes
@nl
type
label
Navigating structure–activity landscapes
@ast
Navigating structure–activity landscapes
@en
Navigating structure–activity landscapes
@nl
prefLabel
Navigating structure–activity landscapes
@ast
Navigating structure–activity landscapes
@en
Navigating structure–activity landscapes
@nl
P2093
P1433
P1476
Navigating structure–activity landscapes
@en
P2093
John H. Van Drie
Lisa Peltason
Mathias Wawer
Michael S. Lajiness
P304
P356
10.1016/J.DRUDIS.2009.04.003
P577
2009-07-01T00:00:00Z