COSMOPharm
Experimental drug–polymer equilibrium solubility curves.
Overview
Experimental equilibrium drug–polymer solubility screening from molecular structure and crystal properties. Supports PVA and PVP K12/K30 with generated molecular surface profiles. Accuracy is not established for general formulations: the four-system benchmark has substantial paracetamol–PVP K12 error. These estimates do not predict shelf life, crystallization kinetics, glass transition, or physical stability.
Run COSMOPharm on Neurosnap
The COSMOPharm online webserver allows anybody with a Neurosnap account to run and access COSMOPharm, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- One drug supplied through SMILES, CCD code, or molecular structure.
- Curated PVA and PVP K12/K30 polymer models with nominal molecular weights.
- Temperature-dependent saturation estimates with numerical and liquid stability screening.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access COSMOPharm using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Citations
Please cite the original work when using COSMOPharm in publications or research outputs.
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https://doi.org/10.1021/acs.molpharmaceut.4c00342 |
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https://doi.org/10.5281/zenodo.20672192 |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |