There is a file of "AI-based drug discovery of TKIs targeting L858R/T790M/C797S- mutant EGFR in non-small cell lung cancer".

data

1. tinib_139.xlsx - data for transfer learning
2. train.txt - training data for general chemistry rules [link]
3. result_360.csv - result of AI drug discovery (360 molecules: structures, chemical properties, predicted EGFR binding affinity - L858R(4LQM), T790M(6JX4), C797S(6LUD))
4. EGFR fasta - L858R(4LQM), T790M(6JX4), C797S(6LUD) [link]

method

1. AI drug design [link]
2. AI virtual screening [link]