Table 2.

Observed (pIC50) and predicted activity of 36 experimental BRAF(V600E) inhibitors

Name	pIC50	Support vector machine predict	Multiple linear regression predict	BNT predict
1	7.63827	7.41024	7.6194769	7.374755
21a	9	8.49954	7.947385429	7.570344
21c	7.63827	7.94884	7.715589335	7.507701
21d	8.09691	7.63028	7.69481958	7.599865
21f	6.97469	7.47464	7.689070605	7.392667
21g	5	5.50016	5.404198765	7.451606
21j	5.18709	5.68728	5.372310431	5.18709
21k	7.3279	7.82789	7.757460256	7.443077
21m	7.4318	7.93152	7.66824277	7.444933
21n	9	8.49142	8.031087118	7.626747
21o	7.92082	7.95511	7.714453524	7.51947
21p	7.79588	8.58137	8.08604531	7.648566
21r	8.1549	8.33563	7.866688002	8.210212
21s	8.1549	8.65499	8.317593039	8.16193
21t	8.22185	8.41459	8.145699383	6.733601
21u	7.4318	7.93179	7.758683368	7.026349
21w	7.10237	7.44954	7.10237	7.760075
21x	7.85387	8.27306	8.142843629	6.19518
21y	6.19518	6.36307	5.893678679	7.639428
22b	7.63827	7.39801	8.208587719	7.61749
22c	7.76955	7.26955	7.480139135	7.23233
22e	8	7.50047	7.588321338	6.760189
22f	7.61979	7.11976	7.742020164	6.553714
23a	6.80688	6.86424	6.952963588	6.635629
23c	6.36653	6.86646	6.772286613	5.284
25a	5.284	5.36044	4.734245058	5.33724
25b	5.33724	5.83723	5.542500261	7.022547
21b	7.60206	7.55399	7.675530551	7.580189
21e	7.52288	8.02369	7.800943114	7.580609
21h	7.25181	7.91268	7.531800304	5.929145
21i	7.65758	8.00893	7.712916529	7.424633
21l	7.67778	7.96514	7.624559479	7.419267
21q	7.92082	7.98343	7.73585786	7.513427
21v	6.65758	7.15765	6.524388082	3.495288
23b	6.77728	7.16443	6.736866666	7.56727
26	7.04576	5.75116	6.973415379	10.43935