(Q43805832)

27 November 2017

title

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

1 reference

27 November 2017

0 references

D. J. Livingstone

1

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A11718478

29 January 2025

M. G. Ford

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A11718478

29 January 2025

J. J. Huuskonen

series ordinal

3

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A11718478

29 January 2025

D. W. Salt

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?resulttype=core&format=json&query=SRC%3AMED%20AND%20EXT_ID%3A11718478

29 January 2025

publication date

1 August 2001

1 reference

27 November 2017

August 2001

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=11718478

29 January 2025

language of work or name

English

1 reference

National Center for Biotechnology Information

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/esummary.fcgi?db=pubmed&retmode=json&id=11718478

Journal of Computer - Aided Molecular Design

29 January 2025

published in

1 reference

27 November 2017

volume

15

1 reference

27 November 2017

issue

8

1 reference

27 November 2017

page(s)

741-752

1 reference

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

27 November 2017

cites work

1 reference

12 December 2020

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

1 reference

12 December 2020

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

1 reference

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

1 reference

12 December 2020

A general canonical correlation index

1 reference

12 December 2020

Octanol-water partition: searching for predictive models

1 reference

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

1 reference

journals/jcamd/LivingstoneFHS01

27 November 2017

DBLP publication ID

1 reference

DBLP Dataset 2021-01-02

Dimensions Publication ID

28 January 2021

1011768175

0 references

1 reference