Molecules (Basel, Switzerland)
Mar 3, 2022
Neural networks and deep learning have been successfully applied to tackle problems in drug discovery with increasing accuracy over time. There are still many challenges and opportunities to improve molecular property predictions with satisfactory ac...
Poultry science
Dec 30, 2021
An environmentally sustainable method to extract phosphatidylcholine (PC) from chicken liver (PCCL) and its functional properties were studied. The extraction times, enzymatic hydrolysis time, the solid-liquid ratio as well as types of enzymes (prota...
International journal of molecular sciences
Dec 17, 2021
Protein solubility is an important thermodynamic parameter that is critical for the characterization of a protein's function, and a key determinant for the production yield of a protein in both the research setting and within industrial (e.g., pharma...
Bioresource technology
Oct 2, 2021
The "Thermal-dissolution based carbon enrichment" was proven as an efficient and homogenizing treatment method in converting biomass wastes into similar high-quality carbon materials. However, their yields varied significantly with respect to the dif...
Journal of computer-aided molecular design
Jul 17, 2021
Accurate prediction of lipophilicity-logP-based on molecular structures is a well-established field. Predictions of logP are often used to drive forward drug discovery projects. Driven by the SAMPL7 challenge, in this manuscript we describe the steps...
Interdisciplinary sciences, computational life sciences
Jul 8, 2021
BACKGROUND: Prediction of protein solubility is an indispensable prerequisite for pharmaceutical research and production. The general and specific objective of this work is to design a new model for predicting protein solubility by using protein sequ...
International journal of molecular sciences
Jul 8, 2021
Theophylline, a typical representative of active pharmaceutical ingredients, was selected to study the characteristics of experimental and theoretical solubility measured at 25 °C in a broad range of solvents, including neat, binary mixtures and tern...
European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
Jul 3, 2021
For oral solid dosage forms, disintegration and dissolution properties are closely related to the powders and particles used in their formulation. However, there remains a strong need to characterize the impact of particle structures on tablet compac...
International journal of pharmaceutics
Jun 30, 2021
Liquisolid systems are emerging formulation approach for poorly soluble drugs, based on adsorption/absorption of drug dispersion and obtaining free-flowing powder with good compressibility. SeDeM Expert System represents a powder processability evalu...
Journal of chemical information and modeling
May 26, 2021
While accurate prediction of aqueous solubility remains a challenge in drug discovery, machine learning (ML) approaches have become increasingly popular for this task. For instance, in the Second Challenge to Predict Aqueous Solubility (SC2), all gro...