BSS output file

	A	B	C	D	E	F	G	H	I	J	K	L	M	N	O	P
1		All Posiible 'N' Descriptors combination (Here, N =4)						Validation Metrics For the Training Set						Validation Metrics for Test Set
2	Combination No.	Desc1	Desc2	Desc3	Desc4	r2	Q2(LOO)	AvgRm2(LOO)	MAE95(Train)	FitnessScore(Train)	PredictionQuality(Train)	Q2F1(test)	Q2F2(test)	AvgRm2(test)	MAE95(Test)	PredictionQuality(Test)
3	1	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	nPyridines	0.722271	0.590227	0.42964604	0.429276899	0.34785978	BAD	0.609476706	0.024908708	0.117444839	0.483159815	BAD
4	2	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	B10[S-F]	0.716725	0.512013	0.356504093	0.44347901	0.263768006	BAD	0.65212434	0.131394893	0.037799806	0.508626766	MODERATE
5	3	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	nCs	0.679025	0.56225	0.397449824	0.478790058	0.108541939	BAD	0.631640312	0.080248655	0.079862656	0.499016299	BAD
6	4	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	F10[N-O]	0.676567	0.525521	0.358206523	0.469279029	0.141956879	BAD	0.6173747	0.044629081	0.054827507	0.494332213	BAD
7	5	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	B05[O-F]	0.675658	0.505194	0.344726549	0.485007988	0.044174054	BAD	0.614370283	0.037127401	0.054210394	0.507967696	BAD
8	6	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	B04[O-F]	0.731511	0.523341	0.370200303	0.450090841	0.311468129	BAD	0.66369728	0.160291181	0.036990568	0.512666667	MODERATE
9	7	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	Atype_C_27	0.719978	0.673884	0.547308172	0.423048097	0.350175607	BAD	0.625206527	0.064184243	0.105344585	0.444749641	BAD
10	8	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	NaasC	0.683081	0.528583	0.368155356	0.470188172	0.165470646	BAD	0.505942473	-0.233604244	0.014307951	0.522021786	BAD
11	9	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	B07[N-F]	0.67826	0.520569	0.362654998	0.471719883	0.081423307	BAD	0.609696089	0.02545648	0.057417713	0.505833503	BAD
12	10	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	F06[C-N]	0.675719	0.524347	0.356206323	0.473627243	0.113197063	BAD	0.61785242	0.045821891	0.057695581	0.508582329	BAD
13	11	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	B09[C-S]	0.69486	0.631829	0.477885129	0.458976298	0.17870657	BAD	0.573762926	-0.064264452	0.067411936	0.484469617	BAD
14	12	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	nBnz	0.715745	0.616624	0.455230758	0.426908165	0.291053397	BAD	0.428270775	-0.427541451	0.022771564	0.447980328	BAD
15	13	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	B08[F-F]	0.694949	0.597358	0.450025222	0.477332185	0.113839375	BAD	0.608743734	0.023078562	0.06582389	0.506796713	BAD
16	14	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	Atype_C_14	0.678187	0.540284	0.374427258	0.482254534	0.12647829	BAD	0.618238145	0.046785003	0.053812897	0.510845087	BAD
17	15	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	B06[O-O]	0.679466	0.51585	0.35345183	0.456373018	0.160113205	BAD	0.609684657	0.025427937	0.045068583	0.511699672	BAD
18	16	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	nIsoxazoles	0.675603	0.531053	0.366755259	0.477730026	0.107552799	BAD	0.614122917	0.036509757	0.053963274	0.507937297	BAD
19	17	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	F08[O-F]	0.686245	0.528572	0.365454756	0.484660288	0.180189263	BAD	0.621580305	0.055129988	0.053334211	0.517307337	BAD
20	18	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	H-051	0.677776	0.544264	0.371882207	0.475392233	0.134670218	BAD	0.618542225	0.047544256	0.053923022	0.51037231	BAD
21	19	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	F04[C-S]	0.675563	0.537748	0.367160132	0.466714689	0.135608119	BAD	0.613837486	0.035797069	0.054430947	0.50781179	BAD
22	20	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	nCb-	0.724114	0.444215	0.298303655	0.431709748	0.27224933	BAD	0.37929825	-0.549820154	0.023074403	0.530292849	BAD
23	21	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	F07[N-F]	0.67826	0.520569	0.362654998	0.471719883	0.081946141	BAD	0.609696089	0.02545648	0.057417713	0.505833503	BAD
24	22	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	S_sssCH	0.718532	0.566621	0.408958075	0.450411095	0.240030719	BAD	0.627180198	0.06911227	0.011213908	0.532083725	MODERATE
25	23	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	S_ssNH	0.675733	0.531004	0.3647525	0.474912608	0.113998581	BAD	0.612523458	0.032516094	0.054118877	0.508076938	BAD
26	24	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	NssNH	0.675616	0.540024	0.371419777	0.473939031	0.113106396	BAD	0.614599542	0.037699835	0.054118334	0.508321361	BAD
27	25	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	MLOGP	0.69786	0.599083	0.43861692	0.435511128	0.259683207	BAD	0.54198851	-0.143601477	0.035386771	0.448062967	BAD
28	26	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	B08[O-S]	0.690012	0.544277	0.378942955	0.463774382	0.182004087	BAD	0.638126374	0.096443599	0.05500233	0.52589957	BAD
29	27	Jurs-PPSA-2	ETA_Shape_P	Atype_N_66	Jurs-WPSA-3	0.675941	0.512439	0.350063892	0.472235809	0.11657294	BAD	0.614394481	0.037187821	0.053822851	0.506417664	BAD
30	28	Jurs-PPSA-2	ETA_Shape_P	nPyridines	B10[S-F]	0.645119	0.56568	0.423521423	0.430802517	0.334809231	BAD	0.628406292	0.072173685	0.079864274	0.528813254	MODERATE
31	29	Jurs-PPSA-2	ETA_Shape_P	nPyridines	nCs	0.626534	0.549301	0.404170035	0.449370793	0.256340752	BAD	0.623460902	0.05982562	0.091537444	0.509468175	BAD
32	30	Jurs-PPSA-2	ETA_Shape_P	nPyridines	F10[N-O]	0.628034	0.574603	0.429196282	0.448217894	0.271342238	BAD	0.626392054	0.067144367	0.090613118	0.49050167	BAD
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