(Q38452717)

3 September 2017

title

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

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3 September 2017

1

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3 September 2017

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Johann Gasteiger

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3 September 2017

publication date

1 March 2003

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Journal of Chemical Information and Computer Sciences

3 September 2017

published in

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Papers from the Sixth International Conference on Chemical Structures, Noordwijkerhout, The Netherlands, June 2002

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volume

43

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3 September 2017

issue

2

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3 September 2017

page(s)

429-434

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

3 September 2017

cites work

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Chemical Information in 3D Space

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Prediction of the aqueous solubility: comparison of the general solubility equation and the method using an amended solvation energy relationship

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

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

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI025590U

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

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Prediction of three-dimensional molecular structures using information from infrared spectra

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Comparison of Two Methods for Predicting Aqueous Solubility

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

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

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Deriving the 3D structure of organic molecules from their infrared spectra

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Search for Predictive Generic Model of Aqueous Solubility Using Bayesian Neural Nets

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Prediction of drug solubility from structure

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 1. Aqueous Solubility

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Estimation of aqueous solubility of organic compounds with QSPR approach.

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI025590U

Group contribution methods to estimate water solubility of organic chemicals

1 October 2024

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https://opencitations.net/index/api/v1/references/10.1021/CI025590U

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

1 October 2024

1 reference

https://opencitations.net/index/api/v1/references/10.1021/CI025590U

1 October 2024

Identifiers

DOI

10.1021/CI025590U

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3 September 2017

DBLP publication ID

journals/jcisd/YanG03

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DBLP Dataset 2021-01-02

28 January 2021

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