How Effective are Ionization-State Based QSPKR Models at Predicting Pharmacokinetic Parameters in Humans?
Published: 12 August 2022| Version 2 | DOI: 10.17632/wyknzwphzt.2
Contributors:
Anish Gomatam, blessy joseph, Mushtaque Shaikh, Poonam Advani, Krishna Iyer, Evans CoutinhoDescription
Data used for modelling pharmacokinetic endpoints. Supplementary material including molecule names and identifiers and csv files for training and test sets.
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Steps to reproduce
Provided in detail in the manuscript submitted submitted to a scientific journal.
Institutions
Bombay College of Pharmacy
Categories
Pharmacokinetics, Chemoinformatics, Machine Learning