about
Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hitsTarget prediction utilising negative bioactivity data covering large chemical spaceRational methods for the selection of diverse screening compoundsOptimizing QSAR models for predicting ligand binding to the drug-metabolizing cytochrome P450 isoenzyme CYP2D6.Diversity selection of compounds based on 'protein affinity fingerprints' improves sampling of bioactive chemical space.Fast 3D shape screening of large chemical databases through alignment-recyclingThe Development of Models Based on Linear and Nonlinear Multivariate Methods to Predict ADME/PK Properties Using Physicochemical Properties of Kinase, Protease Inhibitors, and GPCR Antagonists.Development of classification models for identifying "true" P-glycoprotein (P-gp) inhibitors through inhibition, ATPase activation and monolayer efflux assays.QSAR, docking, ADMET, and system pharmacology studies on tormentic acid derivatives for anticancer activity.Quantitative structure-activity relationship models for predicting biological properties, developed by combining structure- and ligand-based approaches: an application to the human ether-a-go-go-related gene potassium channel inhibition.Virtual screening, Docking, ADMET and System Pharmacology studies on Garcinia caged Xanthone derivatives for Anticancer activity.Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models
P2860
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P2860
description
2003 nî lūn-bûn
@nan
2003 թուականի Յունուարին հրատարակուած գիտական յօդուած
@hyw
2003 թվականի հունվարին հրատարակված գիտական հոդված
@hy
2003年の論文
@ja
2003年論文
@yue
2003年論文
@zh-hant
2003年論文
@zh-hk
2003年論文
@zh-mo
2003年論文
@zh-tw
2003年论文
@wuu
name
DISE: directed sphere exclusion.
@ast
DISE: directed sphere exclusion.
@en
type
label
DISE: directed sphere exclusion.
@ast
DISE: directed sphere exclusion.
@en
prefLabel
DISE: directed sphere exclusion.
@ast
DISE: directed sphere exclusion.
@en
P356
P1476
DISE: directed sphere exclusion.
@en
P2093
Alberto Gobbi
Man-Ling Lee
P304
P356
10.1021/CI025554V
P577
2003-01-01T00:00:00Z