(Q43805832)

27 November 2017

title

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

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27 November 2017

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D J Livingstone

1

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27 November 2017

M G Ford

series ordinal

2

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27 November 2017

J J Huuskonen

series ordinal

3

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27 November 2017

D W Salt

series ordinal

4

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27 November 2017

publication date

1 August 2001

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Journal of Computer - Aided Molecular Design

27 November 2017

published in

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27 November 2017

volume

15

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27 November 2017

issue

8

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27 November 2017

page(s)

741-752

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

27 November 2017

cites work

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12 December 2020

META. 1. A program for the evaluation of metabolic transformation of chemicals.

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12 December 2020

A new method for the estimation of the aqueous solubility of organic compounds

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12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Neural network studies. 2. Variable selection.

1 reference

12 December 2020

Prediction of aqueous solubility of organic chemicals based on molecular structure

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

12 December 2020

Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation

1 reference

12 December 2020

The characterization of chemical structures using molecular properties. A survey

1 reference

12 December 2020

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

1 reference

12 December 2020

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

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12 December 2020

A general canonical correlation index

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12 December 2020

Octanol-water partition: searching for predictive models

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12 December 2020

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

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12 December 2020

Identifiers

DOI

10.1023/A:1012284411691

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journals/jcamd/LivingstoneFHS01

27 November 2017

DBLP publication ID

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1011768175

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