(Q43805832)

27 November 2017

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

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2

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27 November 2017

J J Huuskonen

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3

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27 November 2017

D W Salt

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4

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27 November 2017

1 August 2001

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Journal of Computer - Aided Molecular Design

27 November 2017

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27 November 2017

15

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27 November 2017

741-752

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27 November 2017

8

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https://scigraph.springernature.com/pub.10.1023/a:1012284411691

27 November 2017

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cites work

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

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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.

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12 December 2020

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

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12 December 2020

Neural network studies. 2. Variable selection.

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12 December 2020

Prediction of aqueous solubility of organic chemicals based on molecular structure

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12 December 2020

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

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12 December 2020

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

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12 December 2020

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

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12 December 2020

The characterization of chemical structures using molecular properties. A survey

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12 December 2020

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

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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.

1 reference

12 December 2020

Identifiers

DOI

10.1023/A:1012284411691

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journals/jcamd/LivingstoneFHS01

27 November 2017

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DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

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