The blood-brain barrier is a protective layer that separates the brain from the rest of the body’s circulatory system. This barrier is highly selective and prevents solutes in the circulating blood from non-selectively crossing into the extracellular fluid of the central nervous system where neurons reside.
To be effective as therapeutic agents, centrally-acting drugs (central to the brain) must cross the blood-brain barrier. Conversely, to be devoid of unwanted central nervous system effects, peripherally acting drugs (peripherally to the brain) must show limited ability to cross the blood-brain barrier. In both cases, the blood-brain barrier permeability of drug candidates must be known. However, the experimental determination of brain-blood partitioning is difficult, time-consuming, and expensive and not suitable to screen large collections of chemicals. A broadly applicable method for predicting the blood-brain barrier permeation of candidates at an early stage of discovery would have a great impact on drug research and development.
Thus we built GraphBRAIN to solve this power using the power of graphs and Machine Learning.
Run the following to install:
pip install -r requirements.txtstreamlit run main.pyAwesome! If you want to contribute to this project, you're always welcome! See Contributing Guidelines. You can also take a look at open issues for getting more information about current or upcoming tasks.
Copyright 2023 Rishit Dagli, Shivesh Prakash, Tanmay Shinde, Pranjal Agrawal
Licensed under the Apache License, Version 2.0 (the "License");
you may not use this file except in compliance with the License.
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