In silico prediction of aqueous solubility

By John C. Dearden. 2006

118 citations recorded by the source corpus.

Subfields: Computational Theory and Mathematics, Materials Chemistry, Spectroscopy

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. David B. Ascher
2. Douglas E. V. Pires
3. Matthew D. Segall
4. Tom L. Blundell
5. Michael J. Waring
6. Carlos H. M. Rodrigues
7. Yoochan Myung

In Materials Chemistry

1. Douglas E. V. Pires
2. David B. Ascher
3. Matthew D. Segall
4. Tom L. Blundell
5. Michael J. Waring
6. Carlos H. M. Rodrigues
7. Yang Zhang
8. Andrej Sali

In Spectroscopy

1. Matthew D. Segall
2. Tom L. Blundell
3. Michael J. Waring
4. Douglas E. V. Pires
5. David B. Ascher

Citations in the corpus

• Lipophilicity in drug discovery (2010, background): “Ata theoretical level, the solubilityofamolecule in solution is determined by its activity coefficient and this is an indication of its hydrophobicity [15].”
• pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures (2015, background): “Fluorine atom Count Integer Toxicophore [1-36]c Binary vector Pharmacophore countd Integer vector a Topological polar surface area(23).”
• Can we really do computer-aided drug design? (2011, background): “96 log units on a set of 122 drugs [7].”