Results 271 to 280 of about 3,170,537 (296)

Predicting blood:air partition coefficients using basic physicochemical properties

Regulatory Toxicology and Pharmacology, 2012
Quantitative Property Property Relationships (QPPRs) for human and rat blood:air partition coefficients (PBAs) have been derived, based on vapour pressure (Log(VP)), the octanol:water partition coefficient (Log(K(OW))) and molecular weight (MW), using partial least squares multilinear modelling. These parameters are all included in the standard data to
Buist, H.E., Wit-Bos, L. de, Bouwman, T., Vaes, W.H.J.   +3 more
openaire   +3 more sources

Predicting Cosolvency. 2. Correlation with Solvent Physicochemical Properties

Industrial & Engineering Chemistry Research, 1998
In the preceding paper (Ind. Eng. Chem. Res. 1998, 37, xxxx), linear regressions of the solubility ratio σ with the solute log Kow were examined for 15 water/cosolvent systems and the slopes of the regressions, M or M0.5, were reported. In this paper, the dependence of M and M0.5 on the molecular structures and physicochemical properties of cosolvents ...
An Li, Samuel H. Yalkowsky
openaire   +1 more source

Prediction mapping of physicochemical properties in mango by hyperspectral imaging

Biosystems Engineering, 2017
Hyperspectral imaging (HSI) techniques using a newly-developed frame camera were applied to determine internal properties of mango fruits including firmness, total soluble solids (TSS) and titratable acidity (TA). Prediction models were developed using spectral data from relative surface reflectance of 160 fruits in the visible and near infrared (vis ...
Parika Rungpichayapichet, Marcus Nagle, Pasinee Yuwanbun, Pramote Khuwijitjaru, Busarakorn Mahayothee, Joachim Müller   +5 more
openaire   +1 more source

Prediction of nanoparticles-cell association based on corona proteins and physicochemical properties

Nanoscale, 2015
Cellular association of nanoparticles (NPs) in biological fluids is affected by proteins adsorbed onto the NP surface, forming a "protein corona", thereby impacting cellular bioactivity. Here we investigate, based on an extensive gold NPs protein corona dataset, the relationships between NP-cell association and protein corona fingerprints (PCFs) as ...
Rong, Liu, Wen, Jiang, Carl D, Walkey, Warren C W, Chan, Yoram, Cohen   +4 more
openaire   +2 more sources

Deep learning from physicochemical information of concrete with an artificial language for property prediction and reaction discovery

Resources, Conservation and Recycling, 2023
Soroush Mahjoubi, Yi Bao
exaly  

Machine learning-quantitative structure property relationship (ML-QSPR) method for fuel physicochemical properties prediction of multiple fuel types

Fuel, 2021
Runzhao Li, Athanasios Tsolakis, José Herreros   +2 more
exaly  

Structural, Physicochemical and Digestive Property Changes of Potato Starch after Continuous and Repeated Dry Heat Modification and Its Comparative Study

Foods, 2023
Wenhao Li
exaly  

Machine Learning in Predicting the Physicochemical Properties of Drug Candidates

Physicochemical properties strongly influence the pharmacokinetic and pharmacodynamic behaviour of drugs and drug-like molecules. Experimental measurement of these properties is resource-intensive, requiring significant time, cost, and specialized equipment.
Anila Nuthi, Vaibhav A. Dixit
openaire   +1 more source

PPTPP: a novel therapeutic peptide prediction method using physicochemical property encoding and adaptive feature representation learning

Bioinformatics, 2020
Quan Zou
exaly  

Colorless and Transparent Polyimide Microporous Film with Excellent Physicochemical Property

Polymers, 2021
Jin-Hae Chang
exaly