Data mining a small molecule drug screening representative subset from NIH PubChem.
about
Cheminformatics analysis of the AR agonist and antagonist datasets in PubChemDRABAL: novel method to mine large high-throughput screening assays using Bayesian active learningMining Chemical Activity Status from High-Throughput Screening AssaysInvestigating the correlations among the chemical structures, bioactivity profiles and molecular targets of small moleculesAn efficient algorithm coupled with synthetic minority over-sampling technique to classify imbalanced PubChem BioAssay data.Construction of a bicyclic beta-benzyloxy and beta-hydroxy amide library through a multicomponent cyclization reactionA novel method for mining highly imbalanced high-throughput screening data in PubChem.Screening the cellular microenvironment: a role for microfluidics.Diverging DOS strategy using an allene-containing tryptophan scaffold and a library design that maximizes biologically relevant chemical space while minimizing the number of compounds.Compound acquisition and prioritization algorithm for constructing structurally diverse compound libraries.Exploiting PubChem for Virtual Screening.Identification and characterization of human apurinic/apyrimidinic endonuclease-1 inhibitorsSynthesis and in silico screening of a library of β-carboline-containing compounds.Development and implementation of (Q)SAR modeling within the CHARMMing web-user interfacePubChem applications in drug discovery: a bibliometric analysisConstruction of a spirooxindole amide library through nitrile hydrozirconation-acylation-cyclization cascade.Chemogenomics knowledgebased polypharmacology analyses of drug abuse related G-protein coupled receptors and their ligands.Small-molecule inhibitors targeting INK4 protein p18(INK4C) enhance ex vivo expansion of haematopoietic stem cells.Vitexicarpin acts as a novel angiogenesis inhibitor and its target networkInhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods.Effects of acrylamide on the activity and structure of human brain creatine kinase.Lead discovery, chemistry optimization, and biological evaluation studies of novel biamide derivatives as CB2 receptor inverse agonists and osteoclast inhibitorsRecent advances in fragment-based QSAR and multi-dimensional QSAR methods.Label-free screening assays: a strategy for finding better drug candidates.Targeting cannabinoid receptor-2 pathway by phenylacetylamide suppresses the proliferation of human myeloma cells through mitotic dysregulation and cytoskeleton disruption.p62/SQSTM1/Sequestosome-1 is an N-recognin of the N-end rule pathway which modulates autophagosome biogenesis.Ligand biological activity predictions using fingerprint-based artificial neural networks (FANN-QSAR).GPU accelerated chemical similarity calculation for compound library comparison.Molecular fingerprint-based artificial neural networks QSAR for ligand biological activity predictions.Using the gini coefficient to measure the chemical diversity of small-molecule libraries.The effect of histidine residue modification on tyrosinase activity and conformation: inhibition kinetics and computational prediction.Molecular Modeling Study for the Design of Novel Peroxisome Proliferator-Activated Receptor Gamma Agonists using 3D-QSAR and Molecular Docking.DPubChem: a web tool for QSAR modeling and high-throughput virtual screening.PubChem BioAssay: A Decade's Development toward Open High-Throughput Screening Data Sharing
P2860
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P2860
Data mining a small molecule drug screening representative subset from NIH PubChem.
description
2008 nî lūn-bûn
@nan
2008 թուականի Փետրուարին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի փետրվարին 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
Data mining a small molecule drug screening representative subset from NIH PubChem.
@ast
Data mining a small molecule drug screening representative subset from NIH PubChem.
@en
type
label
Data mining a small molecule drug screening representative subset from NIH PubChem.
@ast
Data mining a small molecule drug screening representative subset from NIH PubChem.
@en
prefLabel
Data mining a small molecule drug screening representative subset from NIH PubChem.
@ast
Data mining a small molecule drug screening representative subset from NIH PubChem.
@en
P921
P356
P1476
Data mining a small molecule drug screening representative subset from NIH PubChem.
@en
P2093
Jian-Zhong Chen
Xiang-Qun Xie
P304
P356
10.1021/CI700193U
P577
2008-02-27T00:00:00Z