Estimation of aqueous solubility of chemical compounds using E-state indices.
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A hydrophilic azacyclooctyne for Cu-free click chemistryThe development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTSOnline chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical informationBioPPSy: An Open-Source Platform for QSAR/QSPR AnalysisADMET evaluation in drug discovery. 12. Development of binary classification models for prediction of hERG potassium channel blockageModeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM)Structural determinants of Tau aggregation inhibitor potencyThe Structure, Thermodynamics and Solubility of Organic Crystals from Simulation with a Polarizable Force Field.Possibilities and pitfalls in quantifying the extent of cysteine sulfenic acid modification of specific proteins within complex biofluids.Copper-free click chemistry in living animals.Binary classification of aqueous solubility using support vector machines with reduction and recombination feature selection.Identification of novel antimalarial chemotypes via chemoinformatic compound selection methods for a high-throughput screening program against the novel malarial target, PfNDH2: increasing hit rate via virtual screening methods.Identification of Small-Molecule Frequent Hitters from AlphaScreen High-Throughput Screens.Systems pharmacology dissection of multi-scale mechanisms of action for herbal medicines in stroke treatment and prevention.Principal component analysis as a tool for library design: a case study investigating natural products, brand-name drugs, natural product-like libraries, and drug-like librariesPerformance of (consensus) kNN QSAR for predicting estrogenic activity in a large diverse set of organic compounds.Drug-likeness analysis of traditional Chinese medicines: 1. property distributions of drug-like compounds, non-drug-like compounds and natural compounds from traditional Chinese medicines.Computational models to predict aqueous drug solubility, permeability and intestinal absorption.Inhibitors for the hepatitis C virus RNA polymerase explored by SAR with advanced machine learning methods.Design and in vitro activities of N-alkyl-N-[(8-R-2,2-dimethyl-2H-chromen-6-yl)methyl]heteroarylsulfonamides, novel, small-molecule hypoxia inducible factor-1 pathway inhibitors and anticancer agents.Estimating the Aqueous Solubility of Pharmaceutical Hydrates.Silicate esters of paclitaxel and docetaxel: synthesis, hydrophobicity, hydrolytic stability, cytotoxicity, and prodrug potential.Indolyl aryl sulphones as HIV-1 reverse transcriptase inhibitors: docking and 3D QSAR studies.Applying machine learning techniques for ADME-Tox prediction: a review.Prediction of the Fate of Organic Compounds in the Environment From Their Molecular Properties: A Review.An interactive database to explore herbicide physicochemical properties.Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective.Fluticasone uptake across Calu-3 cells is mediated by salmeterol when deposited as a combination powder inhaler.Design of a general-purpose European compound screening library for EU-OPENSCREEN.In silico Prediction of Aqueous Solubility: a Comparative Study of Local and Global Predictive Models.Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds.Analysis of multi-site drug-protein interactions by high-performance affinity chromatography: Binding by glimepiride to normal or glycated human serum albuminInteraction of myoglobin with oleic acid.Cardio-vascular safety beyond hERG: in silico modelling of a guinea pig right atrium assay.Quantile regression model for a diverse set of chemicals: application to acute toxicity for green algae.Exploring the Multiligand Binding Specificity of Saposin B Reveals Two Binding Sites.Habitat structure and the evolution of diffusible siderophores in bacteria.In silico ADME-Tox modeling: progress and prospects.Novel enhanced applications of QSPR models: Temperature dependence of aqueous solubility.
P2860
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P2860
Estimation of aqueous solubility of chemical compounds using E-state indices.
description
2001 nî lūn-bûn
@nan
2001 թուականի Նոյեմբերին հրատարակուած գիտական յօդուած
@hyw
2001 թվականի նոյեմբերին հրատարակված գիտական հոդված
@hy
2001年の論文
@ja
2001年論文
@yue
2001年論文
@zh-hant
2001年論文
@zh-hk
2001年論文
@zh-mo
2001年論文
@zh-tw
2001年论文
@wuu
name
Estimation of aqueous solubility of chemical compounds using E-state indices.
@ast
Estimation of aqueous solubility of chemical compounds using E-state indices.
@en
type
label
Estimation of aqueous solubility of chemical compounds using E-state indices.
@ast
Estimation of aqueous solubility of chemical compounds using E-state indices.
@en
prefLabel
Estimation of aqueous solubility of chemical compounds using E-state indices.
@ast
Estimation of aqueous solubility of chemical compounds using E-state indices.
@en
P2093
P356
P1476
Estimation of aqueous solubility of chemical compounds using E-state indices.
@en
P2093
P304
P356
10.1021/CI000392T
P577
2001-11-01T00:00:00Z