(Q35211144)

7 August 2017

1 reference

title

Prediction of physicochemical properties based on neural network modelling (English)

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7 August 2017

Jyrki Taskinen

1

1 reference

PubMed ID

12954197

7 August 2017

Jouko Yliruusi

series ordinal

2

1 reference

PubMed ID

12954197

7 August 2017

language of work or name

English

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publication date

1 September 2003

1 reference

Advanced Drug Delivery Reviews

7 August 2017

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7 August 2017

55

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7 August 2017

1163-1183

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7 August 2017

9

1 reference

Basic concepts of artificial neural network (ANN) modeling and its application in pharmaceutical research

7 August 2017

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Structurally diverse quantitative structure--property relationship correlations of technologically relevant physical properties

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Quantitative structure-property relationships in pharmaceutical research - Part 1.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Quantitative structure-property relationships in pharmaceutical research - Part 2.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Estimation of aqueous solubility in drug design

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Calculating log Poct from structures

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Atom/fragment contribution method for estimating octanol-water partition coefficients.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Toward a principled methodology for neural network design and performance evaluation in QSAR. Application to the prediction of logP.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

QM/NN QSPR models with error estimation: vapor pressure and logP

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Reliability of logP predictions based on calculated molecular descriptors: a critical review

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Simulating lipophilicity of organic molecules with a back-propagation neural network.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Aqueous solubility prediction of drugs based on molecular topology and neural network modeling.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of partition coefficient based on atom-type electrotopological state indices

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of aqueous solubility for a diverse set of organic compounds based on atom-type electrotopological state indices.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-Type Electrotopological State Indices

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Estimation of water solubility from atom-type electrotopological state indices

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Simultaneous prediction of aqueous solubility and octanol/water partition coefficient based on descriptors derived from molecular structure

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Estimation of aqueous solubility of chemical compounds using E-state indices

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Application of Associative Neural Networks for Prediction of Lipophilicity in ALOGPS 2.1 Program

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Internet software for the calculation of the lipophilicity and aqueous solubility of chemical compounds.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Solubility and partitioning I: Solubility of nonelectrolytes in water.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Estimation of the aqueous solubility I: application to organic nonelectrolytes.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of aqueous solubility of organic compounds by the general solubility equation (GSE).

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of aqueous solubility of heteroatom-containing organic compounds from molecular structure

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

QSAR/QSPR studies using probabilistic neural networks and generalized regression neural networks.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Development of quantitative structure-property relationship models for early ADME evaluation in drug discovery. 1. Aqueous solubility

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of aqueous solubility of organic compounds based on a 3D structure representation

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Search for predictive generic model of aqueous solubility using Bayesian neural nets.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Neural network based quantitative structural property relations (QSPRs) for predicting boiling points of aliphatic hydrocarbons

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

A quantum mechanical/neural net model for boiling points with error estimation

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Estimation of vapour pressures for hydrocarbons and halogenated hydrocarbons from chemical structure by a neural network

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Neural network based temperature-dependent quantitative structure property relations (QSPRs) for predicting vapor pressure of hydrocarbons

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Quantitative structure-property relationships for the prediction of vapor pressures of organic compounds from molecular structures

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

A temperature-dependent quantum mechanical/neural net model for vapor pressure

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of Henry's law constants by a quantitative structure property relationship and neural networks

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Fuzzy ARTMAP and back-propagation neural networks based quantitative structure-property relationships (QSPRs) for octanol-water partition coefficient of organic compounds

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

A general QSPR treatment for dielectric constants of organic compounds

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic Compounds

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of surface tension, viscosity, and thermal conductivity for common organic solvents using quantitative structure-property relationships

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Using backpropagation networks for the estimation of aqueous activity coefficients of aromatic organic compounds.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Neural Network Prediction of the Solvatochromic Polarity/Polarizability Parameter

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of C60 solubilities from solvent molecular structures

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Prediction of glass transition temperatures from monomer and repeat unit structure using computational neural networks.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Neural network studies. 4. Introduction to associative neural networks.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Nonlinear multivariate regression outperforms several concisely designed neural networks on three QSPR data sets

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Degree of Approximation Results for Feedforward Networks Approximating Unknown Mappings and Their Derivatives

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

An extended version of a novel method for the estimation of partition coefficients.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

A fuzzy ARTMAP-based quantitative structure-property relationship (QSPR) for the Henry's law constant of organic compounds

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

A new predictive equation for the solubility of drugs based on the thermodynamics of mobile disorder

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

A fuzzy ARTMAP based on quantitative structure-property relationships (QSPRs) for predicting aqueous solubility of organic compounds

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

Neural network modeling for estimation of the aqueous solubility of structurally related drugs.

1 reference

https://api.crossref.org/works/10.1016%2FS0169-409X%2803%2900117-0

7 January 2021

10.1016/S0169-409X(03)00117-0

Identifiers

DOI

1 reference

7 August 2017

1 reference

PubMed ID

12954197