Add draft of Bayesian inference notebook #1
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Forgot to append the erlotinib and gefitinib (N=13) data to this file. Uploading file now.
0. NOTE: LOD data to exclude (dasatinib/T315I: DDG_EXPT=5.08 and imatinib/L248R: DDG_EXPT=2.33). The values "5.08" and "2.33" appear ONCE and only ONCE in this data file. To EXCLUDE these, simply remove the lines containing "5.08" and "2.33". 1. This file replaces All_144_Prime.dat (which only had the N=131 data in it). 2. erlotinib and gefitinib (N=13) data now appended to file.
Added elif statement to read_fep_data function on lines 66/67:
This statement determines that a particular mutation (L248R/imatinib or T315I/dasatinib) have IC50s that are beyond the concentration limits of the assay (vis. IC50 is 10000 nM).
Same deal for reading in the Prime data on lines 369/370, except here the input data file is just two columns AND we deal with the experimental values on free energy scales (5.08 kcal/mol for T315I/dasatinib and 2.33 kcal/mol for L248R/imatinib). These floats are unique in the data file, so this elif logic works just dandy.
Added elif statement to read_fep_data function on lines 66/67:
This statement determines that a particular mutation (L248R/imatinib or T315I/dasatinib) have IC50s that are beyond the concentration limits of the assay (vis. IC50 is 10000 nM).
Same deal for reading in the Prime data on lines 369/370, except here the input data file is just two columns AND we deal with the experimental values on free energy scales (5.08 kcal/mol for T315I/dasatinib and 2.33 kcal/mol for L248R/imatinib). These floats are unique in the data file, so this elif logic works as intended.
… > 0; joint Bayesian model draft
…SE and MUE with corrected labels
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This adds a draft of the Bayesian inference notebook.