نتایج جستجو برای: molconn
تعداد نتایج: 4 فیلتر نتایج به سال:
the purpose of this work is to develop robust and interpretable quantitative structure”activity relationship (qsar) models for assessing the aquatic toxicity of phenols using a combined set of descriptors encompassing the logp and recently developed variables (monconn-z variables). the used dataset consists of 250 chemicals with toxicity data to the ciliate tetrahymena pyriformis. for each com...
the purpose of this work is to develop robust and interpretable quantitative structure”activity relationship (qsar) models for assessing the aquatic toxicity of phenols using a combined set of descriptors encompassing the logp and recently developed variables (monconn-z variables). the used dataset consists of 250 chemicals with toxicity data to the ciliate tetrahymena pyriformis. for each comp...
The ability to predict organ-specific carcinogenicity would aid FDA reviewers in evaluating new chemical applications. A NCTR liver cancer database (NCTRlcdb) containing 999 compounds has been developed with three sets of descriptors. The NCTRlcdb has Cerius2, Molconn-Z, and (13)C NMR descriptors for each compound. Each compound in the database was assigned a liver cancer or a nonliver cancer c...
Research applications in chemoinformatics and toxicoinformatics increasingly use representations of molecules in the form of numerical descriptors that capture the structural characteristics and properties of molecules. These representations are useful for ADME/toxicity prediction, diversity analysis, library design, QSAR/QSPR, virtual screening, and other purposes. Molecular descriptors have r...
نمودار تعداد نتایج جستجو در هر سال
با کلیک روی نمودار نتایج را به سال انتشار فیلتر کنید