In this paper, we propose a new algorithm called multiple physicochemical properties and support vector machines (MppS) which uses support vector machines (SVM) in conjunction with multiple physicochemical properties of amino acids. The algorithm was tested in two problems: HIV-protease and recognition of T-cell epitopes. A series of SVM classifiers combined with the ‘‘max rule’’ enables us to ...

The Bertz indices, derived by counting the number of connecting edges of line graphs of a molecule were used in deriving the QSPR models for the physicochemical properties of alkanes. The inability of these indices to identify the hetero centre in a chemical compound restricted their applications to hydrocarbons only. In the present work, a novel molecular descriptor has been derived from the w...

Cocoa seeds were roasted at 120oC for 10 and 20 minutes were ground to a fine paste to obtain cocoa liquor. Cocoa fudge samples were prepared using the prepared liquor cocoa butter, sugar and lecithin. The two samples were analyzed for their physicochemical and sensory properties. The results of the study reveal that the roasting duration has a significant influence on both the properties. An i...

 The physicochemical properties of the drug substance can assume a primary role in controlling its dissolution from the dosage form.  The aqueous solubility of the drug is one of the major factors that determine its dissolution rate.  Some studies concluded that the drug solubility data can be used as rough predictor of the possibility of any future problems with bioavailability.  Some of t...

Lipophilicity is a key physicochemical property that plays a critical role in determining ADMET properties and the overall suitability of drug candidates. Increasing evidence suggests that control of physicochemical properties like lipophilicity, within a defined optimal range, can improve compound quality and the likelihood of therapeutic success. Particular attention to this optimum region of...

Isolation, purification and physicochemical properties of the antibiotic complex YA-56, a family of phleomycin-bleomycin group, are described. The antibiotic YA-56 complex was found to be composed mainly of two active components named YA-56X and Y. These components were clearly differentiated from the reported phleomycins and bleomycins by their physicochemical properties. However, by direct co...

Metabolomics is the “omics” that studies the whole metabolome. It has a wide range of applications, inter alia chemotaxonomy, environmental influences, agriculture, etc. Here we review the application of metabolomics in natural product research. The importance of physicochemical properties to drug delivery are discussed in relation to turning metabolomic studies towards drug discovery. We belie...

The objective of the study was to prepare vinblastine microparticles by supercritical antisolvent process using N-methyl-2-pyrrolidone as solvent and carbon dioxide as antisolvent and evaluate its physicochemical properties. The effects of four process variables, pressure, temperature, drug concentration and drug solution flow rate, on drug particle formation during the supercritical antisolven...

The objective of the study was to prepare ursolic acid (UA) nanoparticles using the supercritical anti-solvent (SAS) process and evaluate its physicochemical properties and oral bioavailability. The effects of four process variables, pressure, temperature, drug concentration and drug solution flow rate, on drug particle formation during SAS process, were investigated. Particles with mean partic...