ADVERTISEMENT RETURN TO ISSUEPREVErratumNEXTORIGINAL ARTICLEThis notice is a correctionCorrection to “SolTranNet—A Machine Learning Tool for Fast Aqueous Solubility Prediction”Paul G. Francoeur*Paul FrancoeurDepartment of Computational and Systems Biology, University Pittsburgh, Pennsylvania 15260, United States*E-mail: [email protected]More by Paul Francoeurhttps://orcid.org/0000-0002-1440-567...

In this work, two reliable aqueous solubility models, ASMS (aqueous solubility based on molecular surface) and ASMS-LOGP (aqueous solubility based on molecular surface using ClogP as a descriptor), were constructed by using atom type classified solvent accessible surface areas and several molecular descriptors for a diverse data set of 1708 molecules. For ASMS (without using ClogP as a descript...

Administered by an oral route, Furosemide (FUR), a diuretic used in several edematous states and hypertension, presents bioavailability problems, reported as a consequence of an erratic gastrointestinal absorption due to various existing polymorphic forms and low and pH-dependent solubility. A mucoadhesive sublingual fast-dissolving FUR based film has been developed and evaluated in order to op...

This work aims at providing experimental and theoretical information about the water–perfluorocarbon molecular interactions. For that purpose, experimental solubility results for water in cyclic and aromatic perfluorocarbons (PFCs), over the temperature range between (288.15 and 318.15) K, and at atmospheric pressure, were obtained and are presented. From the experimental solubility dependence ...

Nonaqueous phase liquid (NAPL) contaminants that are chemical mixtures often contain compounds that are solids in their pure states. In the environment, weathering processes cause shifts in multicomponent NAPL composition, thereby enriching the NAPL in the less soluble compounds which may result in their eventual solidification. In this paper, we review the thermodynamic theory governing solid–...

in this study, the ion association phenomenon in the saturated solution of kcl in the mixed solvent(methanol+water) was studied. the solubility of this compound in the mixed solvent (methanol+water by value percent of methanol = 60%), and in the presence of various molarities of nano3 wasdetermined by the solvent evaporation method at 25.0°c. the results enable us to estimate the valueof thermo...

Solubility data of solid in aqueous and different organic solvents are very important physicochemical properties considered in the design of the industrial processes and the theoretical studies. In this study, experimental solubility data of 666 pharmaceutical compounds in water and 712 pharmaceutical compounds in organic solvents were collected from different sources. Three different artificia...

The solubility of CO2 in the primary, secondary, tertiary and sterically hindered amine aqueous solutions at various conditions was studied. In the present work, the Modified Kent-Eisenberg (M-KE), the Extended Debye-Hückel (E-DH) and the Pitzer models were employed to study the solubility of CO2 in amine aqueous solutions. Two explicit equations are presented to evalu...

      A quanitative structure property relationship was proposed to calculate the binary interaction terms of the Jouyban-Acree model using solubility parameter, boiling point, vapour pressure and density of solvents. The applicability of the proposed method for reproducing solubility data of anthracene in binary solvents has been evaluated using 116 solubility data sets collected from the lite...

An interfacial thermodynamic model predicts that the interplay of grain boundary (GB) premelting, prewetting, and retrograde solubility in a binary alloy can lead to a decrease in the GB diffusivity with increasing temperature. This counterintuitive prediction is experimentally confirmed for a single-phase, Mo +0.5 at. % Ni alloy. This study calls for a reappraisal of the classical GB adsorptio...