Add to ORKGThe use of composite metrics that normalise biological potency values in relation to markers of physicochemical properties, such as size or lipophilicity, has gained a significant amount of traction with many medicinal chemists in recent years. However, there is no consensus on best practice in the area and their application has attracted some criticism. Here we present our approach to their application in lead optimisation projects, provide an objective discussion of the principles we consider important and illustrate how our use of lipophilic ligand efficiency enabled the progression of a number of our successful drug discovery projects. We derive, from this and some recent literature highlights, a set of heuristic guidelines for lipophil...
Lipophilic efficiency indices such as LLE and LELP were suggested to support balanced optimization o...
In medicinal chemistry, lead optimization is a critically important task and a highly empirical proc...
Abstract Background On the one hand, ligand efficiency (LE) and the binding efficiency index (BEI), ...
The judicious application of ligand or binding efficiency metrics, which quantify the molecular prop...
Ligand efficiency is a widely used design parameter in drug discovery. It is calculated by scaling a...
Introduction: Ligand efficiency metrics are almost universally accepted as a valuable indicator of c...
Over the past 15 years there have been extensive efforts to understand and reduce the high attrition...
A recent viewpoint article (Improving the plausibility of success with inefficient metrics. ACS Med....
During the past decade, decreasing the attrition rate of drug development candidates reaching the ma...
Lead optimization is one of the important phases of Drug Discovery Process in which researchers desi...
Ligand efficiency (LE) is a molecular descriptor that probes the ratio of potency vs. heavy atom cou...
Fragment optimizations in nearly 150 fragment-based drug discovery programs reported in the literatu...
IMPORTANCE OF THE FIELD: The role of lipophilicity in determining the overall quality of candidate d...
Fragment optimizations in nearly 150 fragment-based drug discovery programs reported in the literatu...
Efficiency metrics are a simple and effective medicinal chemistry tool to track small molecule progr...
Lipophilic efficiency indices such as LLE and LELP were suggested to support balanced optimization o...
In medicinal chemistry, lead optimization is a critically important task and a highly empirical proc...
Abstract Background On the one hand, ligand efficiency (LE) and the binding efficiency index (BEI), ...
The judicious application of ligand or binding efficiency metrics, which quantify the molecular prop...
Ligand efficiency is a widely used design parameter in drug discovery. It is calculated by scaling a...
Introduction: Ligand efficiency metrics are almost universally accepted as a valuable indicator of c...
Over the past 15 years there have been extensive efforts to understand and reduce the high attrition...
A recent viewpoint article (Improving the plausibility of success with inefficient metrics. ACS Med....
During the past decade, decreasing the attrition rate of drug development candidates reaching the ma...
Lead optimization is one of the important phases of Drug Discovery Process in which researchers desi...
Ligand efficiency (LE) is a molecular descriptor that probes the ratio of potency vs. heavy atom cou...
Fragment optimizations in nearly 150 fragment-based drug discovery programs reported in the literatu...
IMPORTANCE OF THE FIELD: The role of lipophilicity in determining the overall quality of candidate d...
Fragment optimizations in nearly 150 fragment-based drug discovery programs reported in the literatu...
Efficiency metrics are a simple and effective medicinal chemistry tool to track small molecule progr...
Lipophilic efficiency indices such as LLE and LELP were suggested to support balanced optimization o...
In medicinal chemistry, lead optimization is a critically important task and a highly empirical proc...
Abstract Background On the one hand, ligand efficiency (LE) and the binding efficiency index (BEI), ...