Lipophilicity prediction of peptides and peptide derivatives by consensus machine learning
نویسندگان
چکیده
منابع مشابه
Prediction of Lipophilicity and Pharmacokinetics of Chloroacetamides by Chemometric Approach
In this study, the existence of biological potential of selected N-(substituted phenyl)-2-chloroacetamides was examined none empirically, as was the possibility of applying simpleexperimental technique in predicting essential properties which affect the biological activityof the compounds. By applying the Lipinski and Ghose’s rules, it has been revealed that theexamined chloroacetamides fulfill...
متن کاملPrediction of Lipophilicity and Pharmacokinetics of Chloroacetamides by Chemometric Approach
In this study, the existence of biological potential of selected N-(substituted phenyl)-2-chloroacetamides was examined none empirically, as was the possibility of applying simpleexperimental technique in predicting essential properties which affect the biological activityof the compounds. By applying the Lipinski and Ghose’s rules, it has been revealed that theexamined chloroacetamides fulfill...
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Cancer is the second leading cause of death globally, and use of therapeutic peptides to target and kill cancer cells has received considerable attention in recent years. Identification of anticancer peptides (ACPs) through wet-lab experimentation is expensive and often time consuming; therefore, development of an efficient computational method is essential to identify potential ACP candidates ...
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Unfavorable lipophilicity and water solubility cause many drug failures; therefore these properties have to be taken into account early on in lead discovery. Commercial tools for predicting lipophilicity usually have been trained on small and neutral molecules, and are thus often unable to accurately predict in-house data. Using a modern Bayesian machine learning algorithm--a Gaussian process m...
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ژورنال
عنوان ژورنال: MedChemComm
سال: 2018
ISSN: 2040-2503,2040-2511
DOI: 10.1039/c8md00370j