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July 29, 2025Chemical ReviewsOpen Access

Physics-Based Solubility Prediction for Organic Molecules

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Authors

DFDaniel J. FowlesBCBenedict J. ConnaughtonJCJames W. Carter

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Overview

This review highlights advances in computational approaches for predicting solubility in organic molecules, indicating implications for the pharmaceutical industry.

Key Points

  • Accurate solubility prediction is crucial in fields like pharmaceuticals, especially where low solubility affects drug development.
  • Physics-based methods provide reliable predictions and thermodynamic data, aiding in the optimization of molecular structures.
  • While experimental measurements are common, they are often slow and inefficient, driving the need for computational techniques.
  • Ongoing research continues to explore the strengths and weaknesses of various solubility prediction approaches, enhancing practical applications.

Cite This Study

Fowles et al. (2025) studied this question.

synapsesocial.com/papers/689a093fe6551bb0af8cec9chttps://doi.org/10.1021/acs.chemrev.4c00855
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