As in almost every task in chemoinformatics, molecular representation is a key aspect to consider during the enumeration of chemical compounds [28]. Probably the most well-known description of compounds is the
Phosphate tends to bind to soil particles and organic compounds while nitrate is more mobile. As a result, the two nutrient groups cannot be managed in the same way. The EU Nitrates Directive has put the focus on N reuse in agricultural systems and P loading has not been managed in the ...
Therefore, we ensured that each compound in our dataset exists in positive class and negative class, but pairs with different proteins. Because the compounds with positive and negative labels are exactly the same, ligand bias is greatly reduced in our dataset. Under this criteria, we constructed ...
Here, we report a unique class of thermogelling organohydrogels which are based on a unique gelation mechanism. The key components in the oil-in-water thermogelling nanoemulsion are chosen among the U.S. Food and Drug Administration’s (FDA) approved compounds, which provides a compatible environ...
Through SAR studies and with the support of molecular modeling, compound 4d (AC0010), a potent and highly selective pyrrolopyrimidine-based irreversible EGFR inhibitor was discovered. The compound has been clinically investigated in several countries including China, the United States, and Europe. ...
Procedures that involve manipulation of the sporulating dimorphic molds such as Coccidioides require biosafety level 2 practices and facilities and should be performed in a class II biological safety cabinet. Lifting of the culture plate lid is sufficient to release numerous spores into the environment...
The functional class by stress test also has a close relation with endothelial function. Those patients who reached 100 to 150 watts had a normal endothelial dependent vasodilatation similar to controls, but if they reached 75 or less watts, the vasodilatation response was depressed. The response ...
Class: Phytomyxea; Order: Plasmodiophorales; Family: Plasmodiophoraceae; Genus: Plasmodiophora; Species: Plasmodiophora brassicae (Woronin, 1877). Distribution Clubroot disease is spread worldwide, with reports from all continents except Antarctica. To date, clubroot disease has been reported in more...
This class comprises NPs that are made of proteins, carbohydrates, lipids, polymers, or any other organic compounds [26]. The most prominent examples of this class are dendrimers, liposomes, micelles, and protein complexes such as ferritin (shown in Fig.2). These NPs are typically non-toxic,...
Porous coordination polymers (PCPs) or metal-organic frameworks (MOFs) are emerging as a promising class of crystalline porous materials with wide applications, including gas adsorption and storage14,15and heterogeneous catalysis16,17,18. PCPs therefore have an advantage over other catalysts with respec...