From: QSAR based model for discriminating EGFR inhibitors and non-inhibitors using Random forest
Best 10 positive fingerprints | Best 10 negative fingerprints | ||||||
---|---|---|---|---|---|---|---|
Fingerprint Number | Freq. (+) | Freq. (−) | Diffe-rence | Fingerprint Number | Freq. (+) | Freq. (−) | Diffe-rence |
380 | 71.85 | 43.64 | 28.21 | 698 | 21.26 | 45.15 | −23.89 |
579 | 75.79 | 52.82 | 22.97 | 673 | 8.27 | 31.80 | −23.53 |
189 | 38.78 | 17.35 | 21.43 | 690 | 57.48 | 76.51 | −19.03 |
388 | 67.52 | 46.41 | 21.11 | 700 | 19.29 | 38.00 | −18.71 |
816 | 24.21 | 6.24 | 17.97 | 714 | 3.54 | 20.42 | −16.88 |
815 | 32.68 | 16.68 | 15.99 | 145 | 30.31 | 45.28 | −14.96 |
374 | 39.96 | 27.06 | 12.90 | 701 | 14.37 | 28.50 | −14.13 |
613 | 32.87 | 20.95 | 11.92 | 669 | 2.17 | 15.92 | −13.75 |
661 | 31.50 | 19.82 | 11.68 | 195 | 6.50 | 18.02 | −11.52 |
348 | 40.16 | 29.50 | 10.66 | 382 | 2.56 | 11.61 | −9.05 |