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ML based QSAR Modelling And Translation of Model to Deployable WebApps
- This Software was made with an intention to make QSAR/QSPR development more efficient and reproducible.
- Published in ACS, Journal of Chemical Information and Modeling . 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...
Python program for fitting rate constants to primarily kinetic data as 1st or 2nd order kinetics or autocatalysis. It also allows specific noise cancelling, data smoothing by fourrier transform, box averaging and flowing mean. For Python 2.6 or earlier.