Solubility in Binary Solvent Systems III: Predictive Expressions Based on Molecular Surface Areas

Aqueous Solubility Prediction Based on Weighted Atom Type Counts and Solvent Accessible Surface Areas

In this work, four reliable aqueous solubility models, ASM-ATC (aqueous solubility model based on atom type counts), ASM-ATC-LOGP (aqueous solubility model based on atom type counts and ClogP as an additional descriptor), ASM-SAS (aqueous solubility model based on solvent accessible surface areas), and ASM-SAS-LOGP (aqueous solubility model based on solvent accessible surface areas and ClogP as...

Solubility and solvation in mixed solvent systems

The solubility of solutes in mixed solvents depends primarily on the solvation of the solutes or their constituent ions by the components of the solvent mixtures. Complications may arise if different crystal solvates are formed or if solute-solute interactions are appreciable. In their absence the standard molar Gibbs energies of solution measure the corresponding quantities of solvation, ASOIV...

designing unmanned aerial vehicle based on neuro-fuzzy systems

در این پایان نامه، کنترل نرو-فازی در پرنده هدایت پذیر از دور (پهپاد) استفاده شده است ابتدا در روش پیشنهادی اول، کنترل کننده نرو-فازی توسط مجموعه اطلاعات یک کنترل کننده pid به صورت off-line آموزش دیده است و در روش دوم یک کنترل کننده نرو-فازی on-line مبتنی بر شناسایی سیستم توسط شبکه عصبی rbf پیشنهاد شده است. سپس کاربرد این کنترل کننده در پهپاد بررسی شده است و مقایسه ای ما بین کنترل کننده های معمو...

performance of solubility models for prediction of acetaminophen solubility in binary and ternary solvent mixtures of ethanol, water and glycerin

An extended aqueous solvation model based on atom-weighted solvent accessible surface areas: SAWSA v2.0 model.

A new method is proposed for calculating aqueous solvation free energy based on atom-weighted solvent accessible surface areas. The method, SAWSA v2.0, gives the aqueous solvation free energy by summing the contributions of component atoms and a correction factor. We applied two different sets of atom typing rules and fitting processes for small organic molecules and proteins, respectively. For...