Predicting synthetic accessibility: application in drug discovery and development.

Area of Science:

• Medicinal Chemistry
• Computational Chemistry
• Drug Discovery

Background:

• Synthetic accessibility is crucial for efficient drug discovery.
• Distinguishing between synthetic feasibility and accessibility is important.
• Practical applications of synthetic accessibility scores are not widely understood.

Purpose of the Study:

• To discuss the estimation and use of synthetic accessibility in drug discovery.
• To differentiate between synthetic feasibility and accessibility.
• To examine the practical uses of an accessibility score and compare estimation techniques.

Main Methods:

• Review of existing literature on synthetic accessibility estimation.
• Comparative analysis of different synthetic accessibility scoring methods.
• Discussion of the practical utility and accuracy of these methods.

Main Results:

• Synthetic accessibility is a distinct concept from synthetic feasibility.
• Accessibility scores offer practical benefits in early-stage drug design.
• Various estimation techniques show differing utility and accuracy.

Conclusions:

• Synthetic accessibility plays a vital role in optimizing drug discovery pipelines.
• Accurate estimation of synthetic accessibility can accelerate the identification of viable drug candidates.
• Further research into refining accessibility estimation methods is warranted.