AIMC Topic: Solubility
Clear Filters Showing 101 to 110 of 152 articles
Pushing the Boundaries of Molecular Representation for Drug Discovery with the Graph Attention Mechanism.
Journal of medicinal chemistry
Aug 27, 2019
Hunting for chemicals with favorable pharmacological, toxicological, and pharmacokinetic properties remains a formidable challenge for drug discovery. Deep learning provides us with powerful tools to build predictive models that are appropriate for t...
Preparation of albendazole-loaded liposomes by supercritical carbon dioxide processing.
Artificial cells, nanomedicine, and biotechnology
Jan 28, 2019
Supercritical fluid (SCF) technology offers a potential green alternative to organic solvent-based methods for drug formulation. Albendazole (ABZ) has promising anticancer activity when formulated to increase its cellular uptake. Herein, a static vol...
Development and validation of a sensitive method for alkyl sulfonate genotoxic impurities determination in drug substances using gas chromatography coupled to triple quadrupole mass spectrometry.
Journal of pharmaceutical and biomedical analysis
Dec 30, 2018
Alkyl sulfonate esters have been widely concerned as genotoxic impurities (GTIs). A gas chromatography triple-quadrupole mass spectrometry (GC-MS/MS) method has been developed for trace determination of 9 commonly encountered sulfonate esters in drug...
Sparse Generative Topographic Mapping for Both Data Visualization and Clustering.
Journal of chemical information and modeling
Oct 31, 2018
To achieve simultaneous data visualization and clustering, the method of sparse generative topographic mapping (SGTM) is developed by modifying the conventional GTM algorithm. While the weight of each grid point is constant in the original GTM, it be...
Smart systems for determination of drug's solubility.
Drug development and industrial pharmacy
Oct 17, 2018
The solubility of drugs is a crucial physicochemical property in the drug discovery or development process and for improving the bioavailability of drugs. There are various methods for evaluating the solubility of drugs including manual measurement m...
Physicochemical characterization of an arabinoxylan-rich fraction from brewers' spent grain and its application as a release matrix for caffeine.
Food research international (Ottawa, Ont.)
Sep 18, 2018
The brewers' spent grain is a by-product generated during brewery process and is a potential source for arabinoxylans (AX) extraction. In the present work, the extraction and characterization of an arabinoxylan-rich fraction from brewers' spent grain...
Protein Solvent-Accessibility Prediction by a Stacked Deep Bidirectional Recurrent Neural Network.
Biomolecules
May 25, 2018
Residue solvent accessibility is closely related to the spatial arrangement and packing of residues. Predicting the solvent accessibility of a protein is an important step to understand its structure and function. In this work, we present a deep lear...
TopP-S: Persistent homology-based multi-task deep neural networks for simultaneous predictions of partition coefficient and aqueous solubility.
Journal of computational chemistry
Apr 6, 2018
Aqueous solubility and partition coefficient are important physical properties of small molecules. Accurate theoretical prediction of aqueous solubility and partition coefficient plays an important role in drug design and discovery. The prediction ac...
Discussion on Regression Methods Based on Ensemble Learning and Applicability Domains of Linear Submodels.
Journal of chemical information and modeling
Feb 15, 2018
To develop a new ensemble learning method and construct highly predictive regression models in chemoinformatics and chemometrics, applicability domains (ADs) are introduced into the ensemble learning process of prediction. When estimating values of a...
Statistical moments in modelling of swelling, erosion and drug release of hydrophilic matrix-tablets.
International journal of pharmaceutics
Feb 1, 2018
Statistical moments were evaluated as suitable parameters for describing swelling and erosion processes (along with drug release) in hydrophilic controlled release matrix tablets. The effect of four independent formulation variables, corresponding to...
Stay Ahead of Medical AI
Join thousands of healthcare professionals staying informed about the latest AI breakthroughs in medicine. Get curated insights delivered to your inbox.
Subscribe NowPopular Topics
- Machine Learning 31032
- Neural Networks, Computer 29717
- Algorithms 26831
- Deep Learning 26345
- Artificial Intelligence 24290
- Robotics 13311
- Image Processing, Computer-Assisted 9521
- Retrospective Studies 9110
- Magnetic Resonance Imaging 6181
- Reproducibility of Results 5592
- Tomography, X-Ray Computed 4770
- Support Vector Machine 4686
- Computational Biology 4236
- Brain 4050
- Computer Simulation 3881
Recent Journals
- Scientific reports 5940
- Sensors (Basel, Switzerland) 4794
- PloS one 4015
- Neural networks : the official journal of the International Neural Network Society 2929
- Computational intelligence and neuroscience 1931
- Computers in biology and medicine 1854
- Annual International Conference of the IEEE Engineering in Medicine and Biology Society. IEEE Engineering in Medicine and Biology Society. Annual International Conference 1686
- Studies in health technology and informatics 1278
- IEEE journal of biomedical and health informatics 1130
- Journal of chemical information and modeling 998
- Nature communications 943
- Computer methods and programs in biomedicine 883
- Bioinformatics (Oxford, England) 861
- Briefings in bioinformatics 853
- IEEE transactions on neural networks and learning systems 826