General melting point prediction based on a diverse compound data set and artificial neural networks.
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Cross-validation pitfalls when selecting and assessing regression and classification modelsQuantitative global studies of reactomes and metabolomes using a vectorial representation of reactions and chemical compoundsRecent progress in the computational prediction of aqueous solubility and absorption.Computational models to predict aqueous drug solubility, permeability and intestinal absorption.Matched Molecular Pair Analysis on Large Melting Point Datasets: A Big Data Perspective.How accurately can we predict the melting points of drug-like compounds?Greedy and Linear Ensembles of Machine Learning Methods Outperform Single Approaches for QSPR Regression Problems.Applicability Domain Dependent Predictive Uncertainty in QSAR Regressions.Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction.Alpha shapes applied to molecular shape characterization exhibit novel properties compared to established shape descriptors.Predicting Melting Points of Organic Molecules: Applications to Aqueous Solubility Prediction Using the General Solubility Equation.On the rational formulation of alternative fuels: melting point and net heat of combustion predictions for fuel compounds using machine learning methods.A medicinal chemistry perspective on melting point: matched molecular pair analysis of the effects of simple descriptors on the melting point of drug-like compoundsComputational Absorption PredictionJean-Claude Bradley Open Melting Point Dataset
P2860
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P2860
General melting point prediction based on a diverse compound data set and artificial neural networks.
description
2005 nî lūn-bûn
@nan
2005 թուականի Մայիսին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի մայիսին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
General melting point predicti ...... nd artificial neural networks.
@ast
General melting point predicti ...... nd artificial neural networks.
@en
type
label
General melting point predicti ...... nd artificial neural networks.
@ast
General melting point predicti ...... nd artificial neural networks.
@en
altLabel
General Melting Point Predicti ...... and Artificial Neural Networks
@en
prefLabel
General melting point predicti ...... nd artificial neural networks.
@ast
General melting point predicti ...... nd artificial neural networks.
@en
P356
P1476
General melting point predicti ...... nd artificial neural networks.
@en
P2093
M Karthikeyan
P304
P356
10.1021/CI0500132
P407
P577
2005-05-01T00:00:00Z