Structure-based calculation of drug efficiency indices

Structure-based calculation of drug efficiency indices

MOTIVATION The efficiency indices (EI's) have been derived from the experimental binding affinities of drug candidates to macromolecules. These 'two-in-one' measures include information on both pharmacodynamics and pharmacokinetics of the candidate molecules. The time-consuming experimental measurement of binding affinities of extensive molecule libraries may become a bottle-neck of large scale...

Ligand efficiency indices for effective drug discovery.

Successful drug discovery requires the optimization of a large number of variables ranging from strictly physicochemical parameters such as molecular weight to more complex parameters related to toxicity and bioavailability. Presently, structure-based methodologies influence many aspects of the drug discovery process from lead discovery to the final preclinical characterization. However, critic...

Interval Efficiency Assessment in Network Structure Based on Cross –Efficiency

As we know, in evaluating of DMUs some of them might be efficient, so ranking of them have a high significant. One of the ranking methods is cross-efficiency. Cross efficiency evaluation in data envelopment analysis (DEA) is a commonly used skill for ranking decision making units (DMUs). Since, many studies ignore the intra-organizational communication and consider DMUs as a black box. For sign...

Ligand efficiency indices as guideposts for drug discovery.

Calculation of average coding efficiency based on subjective quality scores

The Bjøntegaard model is widely used to calculate the coding efficiency between different codecs. However, this model might not be an accurate predictor of the true coding efficiency as it relies on PSNR measurements. Therefore, in this paper, we propose a model to calculate the average coding efficiency based on subjective quality scores, i.e., mean opinion scores (MOS). We call this approach ...