WebMar 20, 2024 · Owing to the highest association constant, hyperoside presented a surface efficiency index of 7.95, and binding efficiency index of 20.7, and the ligandlipophilicity efficiency of 1.38. ... Such deduction was also confirmed by visualization in SEI-BEI plane where the SEI-BEI pair wise-values of them were in the higher ranges than the three ... WebJan 14, 2024 · The ligand efficiency indices Binding efficiency index 42 (BEI) (Eq. 2), Surface efficiency index 42 (SEI) (Eq. 3) and Lipophilic efficiency 41 (LipE) (Eq. 4) …
Ligand efficiency indices for effective drug discovery
WebUtilizing GPCRSARfari and KinaseSARfari databases in ChEMBL, we created IC 50 - or Ki -based training data and binding efficiency index (BEI) based training data then constructed classifiers using support vector machines (SVMs). WebBEI stands for Binding Efficiency Index (also Biological Exposure Index and 184 more) Rating: 1 1 vote What is the abbreviation for Binding Efficiency Index? Binding Efficiency Index is abbreviated as BEI Related abbreviations The list of abbreviations related to BEI - Binding Efficiency Index MRI Magnetic Resonance Imaging LC Liquid Chromatography cirilo zamora
IJMS Free Full-Text Critical Assessment of a Structure-Based
WebOct 27, 2014 · In addition to pIC50 values traditionally used in machine learning studies based on chemogenomics data, three representative LE indices (ligand lipophilicity efficiency (LLE), binding efficiency index (BEI), and surface efficiency index (SEI)) were adopted, then used to create four types of training data. WebOn the one hand, ligand efficiency (LE) and the binding efficiency index (BEI), which are binding properties (B) averaged versus the heavy atom count (HAC: LE) or molecular … WebOct 28, 2013 · Utilizing GPCRSARfari and KinaseSARfari databases in ChEMBL, we created IC50- or K (i)-based training data and binding efficiency index (BEI) based training data then constructed classifiers using support vector machines (SVMs). cirilli plumbing totowa nj