AIMC Topic: Solubility

Clear Filters Showing 91 to 100 of 162 articles

Prediction of Protein Solubility Based on Sequence Feature Fusion and DDcCNN.

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...
Amino Acid Sequence Solubility Proteins Protein Domains Neural Networks, Computer
View on PubMed DOI

Solvent Screening for Solubility Enhancement of Theophylline in Neat, Binary and Ternary NADES Solvents: New Measurements and Ensemble Machine Learning.

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...
Models, Chemical Solubility Choline Solvents Theophylline Machine Learning Water
View on PubMed DOI

Characterizing the Impact of Spray Dried Particle Morphology on Tablet Dissolution Using Quantitative X-Ray Microscopy.

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...
Artificial Intelligence Powders Microscopy, Electron, Scanning X-Rays Particle Size Tablets Solubility
View on PubMed DOI

Investigation into liquisolid system processability based on the SeDeM Expert System approach.

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...
Povidone Tablets Solubility Drug Liberation Expert Systems Powders
View on PubMed DOI

SolTranNet-A Machine Learning Tool for Fast Aqueous Solubility Prediction.

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...
Machine Learning Software Water Solubility
View on PubMed DOI

Generating functional protein variants with variational autoencoders.

PLoS computational biology Feb 26, 2021
The vast expansion of protein sequence databases provides an opportunity for new protein design approaches which seek to learn the sequence-function relationship directly from natural sequence variation. Deep generative models trained on protein sequ...
Oxidoreductases Algorithms Photorhabdus Computer Simulation Reproducibility of Results Escherichia coli Neural Networks, Computer Proteins Machine Learning Solubility Recombinant Proteins Computational Biology
View on PubMed DOI

An in silico deep learning approach to multi-epitope vaccine design: a SARS-CoV-2 case study.

Scientific reports Feb 5, 2021
The rampant spread of COVID-19, an infectious disease caused by SARS-CoV-2, all over the world has led to over millions of deaths, and devastated the social, financial and political entities around the world. Without an existing effective medical the...
Vaccines, Subunit T-Lymphocytes, Cytotoxic Codon Usage Humans COVID-19 SARS-CoV-2 Epitopes, T-Lymphocyte Solubility Computational Biology Immunogenicity, Vaccine Deep Learning Models, Molecular COVID-19 Vaccines Mutation Spike Glycoprotein, Coronavirus RNA, Viral Molecular Docking Simulation Molecular Dynamics Simulation Drug Design Allergens T-Lymphocytes, Helper-Inducer Protein Conformation Epitopes, B-Lymphocyte
View on PubMed DOI

Potential of Raman spectroscopy in facilitating pharmaceutical formulations development - An AI perspective.

International journal of pharmaceutics Feb 2, 2021
Drug development is time-consuming and inherently possesses a high failure rate. Pharmaceutical formulation development is the bridge that links a new chemical entity (NCE) to pre-clinical and clinical trials, and has a high impact on the efficacy an...
Solubility Drug Compounding Drug Development Pharmaceutical Preparations Humans Artificial Intelligence Spectrum Analysis, Raman
View on PubMed DOI

An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design.

European journal of pharmaceutics and biopharmaceutics : official journal of Arbeitsgemeinschaft fur Pharmazeutische Verfahrenstechnik e.V Dec 7, 2020
Drugs in solid dispersion (SD) take advantage of fast and extended dissolution, thus attains a higher bioavailability than the crystal form. However, current development of SD relies on a random large-scale formulation screening method with low effic...
Drug Liberation Machine Learning Biological Availability Drug Design Intestinal Absorption Administration, Oral Datasets as Topic Data Science Solubility Models, Biological Molecular Dynamics Simulation
View on PubMed DOI

Virtual Screening for Reactive Natural Products and Their Probable Artifacts of Solvolysis and Oxidation.

Biomolecules Oct 27, 2020
Chemically unstable natural products are prone to show their reactivity in the procedures of extraction, purification, or identification and turn into contaminants as so-called "artifacts". However, identification of artifacts requires considerable i...
Oxidation-Reduction Deep Learning Drug Evaluation, Preclinical Biological Products Solubility
View on PubMed DOI
Popular Topics
Recent Journals