In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds : Trends, problems and solutions
- Auteur
- BALAKIN, Konstantin V1 ; SAVCHUK, Nikolay P1 ; TETKO, Igor V2
[1] ChemDiv, Inc, San Diego, CA, United States
[2] Biomedical Department, Institute of Bioorganic & Petrochemistry, Murmanskaya 1, 02094 Kyiv, Ukraine - Source
Current medicinal chemistry. 2006, Vol 13, Num 2, pp 223-241, 19 p ; ref : 144 ref
- ISSN
- 0929-8673
- Domaine scientifique
- Biochemistry, molecular biology, biophysics; Pharmacology drugs
- Editeur
- Bentham Science, Schiphol
- Pays de publication
- Netherlands
- Type de document
- Article
- Langue
- English
- Mot clé auteur
- DMSO/aqueous-solubility prediction bioavailability combinatorial libraries computational approaches drug design virtual screening
- Mot clé (fr)
- Biodisponibilité Chimie combinatoire Chimiothèque Hydrosolubilité Modèle moléculaire Modélisation Médicament Méthyle sulfoxyde Pharmacocinétique Propriété physicochimique Prédiction Relation structure propriété Solubilité Solvant organique Criblage virtuel
- Mot clé (en)
- Bioavailability Combinatorial chemistry Chemical compound library Water solubility Molecular model Modeling Drug Methyl sulfoxide Pharmacokinetics Physicochemical properties Prediction Property structure relationship Solubility Organic solvent Virtual screening
- Mot clé (es)
- Biodisponibilidad Química combinatoria Quimioteca Hidrosolubilidad Modelo molecular Modelización Medicamento Sulfóxido de dimetilo Farmacocinética Propiedad fisicoquímica Predicción Relación estructura propiedad Solubilidad Solvente orgánico Cribado virtual
- Classification
- Pascal
- 002 Sciences biologiques et medicales / 002B Sciences medicales / 002B02 Pharmacologie. Traitements medicamenteux / 002B02A Pharmacologie générale / 002B02A01 Propriétés physicochimiques. Relations structure activité
- Discipline
- General pharmacology
- Provenance
- Inist-CNRS
- Base de données
- PASCAL
- Identifiant INIST
- 17926336
Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS
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DOI
10.2174/092986706775197917 
https://dx.doi.org/10.2174/092986706775197917
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