Estimation of Aqueous Solubility for a Diverse Set of Organic Compounds Based on Molecular Topology

By J. Huuskonen. 2000

219 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Electrochemistry, Organic Chemistry

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computational Theory and Mathematics

1. Danuta Leszczynska
2. Andrey A. Toropov
3. Emilio Benfenati
4. Alla P. Toropova
5. Giuseppina C. Gini
6. Velibor V. Misic
7. Jerzy Leszczynski

In Electrochemistry

1. Danuta Leszczynska
2. Andrey A. Toropov
3. Emilio Benfenati
4. Alla P. Toropova
5. Giuseppina C. Gini
6. Velibor V. Misic
7. Jerzy Leszczynski

In Organic Chemistry

1. Danuta Leszczynska
2. Andrey A. Toropov
3. Emilio Benfenati
4. Alla P. Toropova
5. Giuseppina C. Gini
6. Velibor V. Misic
7. Jerzy Leszczynski

Citations in the corpus

• CORAL: QSPR model of water solubility based on local and global SMILES attributes. (2013, methodology): “, 2011) are a possible tool to predict physicochemical properties (Huuskonen, 2000; Tetko et al., 2001; Yan and Gasteiger, 2003) as well as biological activity (Marino et al.”
• Optimization of Tree Ensembles (2017, background): “Require: Candidate solution ( x , y ), satisfying constraint (2b), (2e Huuskonen (2000) Table 1 Summary of real data sets used in numerical experiments.”