QSPR studies on aqueous solubilities of drug-like compounds
| Autor: | Duchowicz, Pablo Román, Castro, Eduardo A. |
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| Jazyk: | angličtina |
| Rok vydání: | 2009 |
| Předmět: |
quantitative structure property relation
group contribution methods replacement method Lipinski rules high throughput screening techniques Química QSPR theory thermodynamics molecular descriptors ADME/Tox properties clinical research aqueous solubility physical chemistry computer model Ciencias Exactas |
| Popis: | A rapidly growing area of modern pharmaceutical research is the prediction of aqueous solubility of drug-sized compounds from their molecular structures. There exist many different reasons for considering this physico-chemical property as a key parameter: the design of novel entities with adequate aqueous solubility brings many advantages to preclinical and clinical research and development, allowing improvement of the Absorption, Distribution, Metabolization, and Elimination/Toxicity profile and "screenability" of drug candidates in High Throughput Screening techniques. This work compiles recent QSPR linear models established by our research group devoted to the quantification of aqueous solubilities and their comparison to previous research on the topic. Facultad de Ciencias Exactas |
| Databáze: | OpenAIRE |
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