Sentence examples for donor count from inspiring English sources

and 'hasChemicalDescriptor' some ('hydrogen bond donor count' and 'has value' some int[< 5]).

some ('hydrogen bond donor count' that 'has value' some int[<=5]).

Hydrogen Bond Donor Count Number of atoms acting as hydrogen bond donors.

Molecular descriptors including ClogP, ACDlogD7.4, polar surface area (PSA), molecular weight (MW), hydrogen bond donor count (HBD), and ACDpKa were calculated and used to generate the CNS PET multiparameter optimization (MPO) score [10].

Listing 3. A sample SPARQL query to determine the value (specified by the ?value variable) of the hydrogen bond donor count descriptor for a molecule specified in the given (lipinski_test) RDF graph, submitted to a SHARE client [28].

Frequency (blue) and percent cumulative frequency (red) of respective feature atom count for the 734,486 molecules tested in at least one bioassay archived in the PubChem BioAssay database: (a) hydrogen-bond donor count, (b) hydrogen-bond acceptor count, (c) anion count, (d) cation count, (e) hydrophobe count, and (f) ring count.

It was developed from the PLS method with descriptors including the SsCH3E-index, H-Donor Count, T_2_Cl_3, and negative correlation with SsOHcount.

According to Model-1 by MLR anticancer activity of quinazoline derivatives were influenced by individual (H-donor count, and XlogP) and alignment independent descriptor (T_C_Br_1, T_2_O_1 and T_2_N_7) help in understanding the effect of substituent at different position of quinazolines.

Membrane permeability and bioavailability are always associated with some basic molecular descriptors such as log P (partition coefficient), molecular weight (MW), or hydrogen bond acceptors and donors counts in a molecule.

For assessing the compound of interest for drug-likeness, the properties such as hydrogen bond donor's count, hydrogen bond acceptor's count, rotatable bond, total polar surface area (TPSA), and toxicity [ 24] are curated.

Transfer frequencies were calculated as the number of transconjugants per number of recipient cells when the recipient counts were greater than the donor cell counts.