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ML based QSAR Modelling And Translation of Model to Deployable WebApps
...Link : https://pubs.acs.org/doi/10.1021/acs.jcim.4c02372
- Simple to use and no compromise on essential features necessary to make reliable QSAR models.
- From Generating Reliable ML Based QSAR Models to Developing Your Own QSAR WebApp.
For any feedback or queries, contact
kabeermuzammil614@gmail.com
- Available on Windows and Linux
-If You are Facing Issues in Deployment to Streamlit, Try 'requirements.txt' in the Github repo or The Files Deposited Here.
Parallelized calculation of molecular similarities
...Basically, all types of structural fingerprints which can be stored in an array of bits (a bitset) can be used by ParaSim.
See the Wiki (https://sourceforge.net/p/parasim/wiki/Documentation/) for detailed documentation.
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