The efficacious dose of a drug is perhaps the most holistic metric reflecting its therapeutic potential. Dose is predicted at many stages in drug discovery and development. Prior to the 1990s, dose prediction was limited to the drug “working” at a reasonable dose and dose regimen in an animal model. Through the early 2000s, dose predictions were generated at candidate nomination and then refined during clinical development. Currently, dose predictions can be made early in drug discovery to enable drug design. Dose predictions at this stage can identify critical drug properties for a viable dose regimen and provide clinically relevant context to lead optimization. In this paper, we give an overview of the opportunities and challenges associated with dose prediction for drug design. A number of general considerations, approaches, and case examples are discussed.

中文翻译：

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药物设计的剂量预测。

药物的有效剂量也许是反映其治疗潜力的最全面的指标。在药物发现和开发的许多阶段都可以预测剂量。在1990年代之前，剂量预测仅限于在动物模型中以合理的剂量和剂量方案“起作用”的药物。在2000年代初期，剂量预测是在候选人提名时产生的，然后在临床开发过程中进行完善。当前，可以在药物发现的早期进行剂量预测以实现药物设计。在此阶段的剂量预测可以确定可行剂量方案的关键药物特性，并提供临床相关的环境以进行优化。在本文中，我们概述了与药物设计剂量预测相关的机遇和挑战。一些一般的考虑因素，方法，