Mining the features that contribute to oral bioavailability in peptide middle space - sub-project from Postdoctoral position at the University of Queensland (Australia)
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Updated
Apr 14, 2016 - R
Mining the features that contribute to oral bioavailability in peptide middle space - sub-project from Postdoctoral position at the University of Queensland (Australia)
Runs dpocket to get pocket descriptors for a given set of atoms or residues
A Disease Target Visualisation Library.
Network-based Cancer Drug Feature Selection and Modeling
The Official Blog of Sungpil Han, M.D./Ph.D.
Data analysis and prediction of small-molecule accumulation in Gram-negative bacteria
React frontend for EFKTR
[Inactive] Moved to new repository Kiwiii
[Inactive] Moved to new repository Flashflood
Original implementation of Calibrated Boosting-Forest
A high-quality hand-curated logD7.4 dataset of 1,130 compounds
Prediction of partition coefficient
[Master Thesis 2017] Scripts for calculating metrics to assess performance of a drug design software.
A molecule generation benchmarking platform
screenlamp is a Python toolkit for hypothesis-driven virtual screening
Data and analysis scripts used in Predicting resistance of clinical Abl mutations to targeted kinase inhibitors using alchemical free-energy calculations
The influence of specific types of antidepressants on ICU mortality
Bacterial porin permeation calculation examples for iapetus
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