Datasets:

gschottlender
/

LigQ_2

Modalities:

Formats:

Size:

Libraries:

License:

Dataset card Data Studio Files Files and versions

Dataset Viewer

Auto-converted to Parquet Duplicate

Split (1)

train · 12.1M rows

chem_comp_id stringlengths 1 14 ⌀	pfam_id stringlengths 7 7 ⌀	uniprot_id stringlengths 6 12 ⌀	pchembl float64 6 12.5 ⌀	mechanism stringclasses 838 values	activity_comment stringlengths 4 125 ⌀	source stringclasses 2 values
CHEMBL10	PF00069	O42781	6.98	null	null	chembl
CHEMBL10	PF03131	O54968	null	null	Active	chembl
CHEMBL10	PF00067	P05177	6.2	null	Active	chembl
CHEMBL10	PF00067	P08684	6.3	null	Active	chembl
CHEMBL10	PF00264	P11344	7.47	null	null	chembl
CHEMBL10	PF00067	P11712	6	null	null	chembl
CHEMBL10	PF00067	P24557	6.31	null	null	chembl
CHEMBL10	PF00067	P33261	7.4	null	Active	chembl
CHEMBL10	PF00069	P45984	7.02	null	active	chembl
CHEMBL10	PF00069	P47811	7.7	null	null	chembl
CHEMBL10	PF00069	P48729	7.12	null	active	chembl
CHEMBL10	PF00069	P48730	7.43	null	987085	chembl
CHEMBL10	PF00069	P49137	null	null	Active	chembl
CHEMBL10	PF00069	P49674	7.2	null	987086	chembl
CHEMBL10	PF00069	P53779	7.6	null	active	chembl
CHEMBL10	PF00069	Q15759	7.92	null	null	chembl
CHEMBL10	PF00069	Q16539	8.39	null	987084	chembl
CHEMBL10	PF00069	Q5SC61	7	null	null	chembl
CHEMBL10	PF00069	Q9H0K1	6	null	active	chembl
CHEMBL10	PF06087	Q9NUW8	null	null	active	chembl
CHEMBL10	PF00069	Q9UBE8	7.6	null	null	chembl
CHEMBL1000	PF00001	P35367	8.23	null	Summarised AC50 (mean value for measurements with a relation sign "="; largest value for measurements with relation sign ">")	chembl
CHEMBL100004	PF00001	P21556	7.16	null	null	chembl
CHEMBL100029	PF03073	P16257	6.46	null	null	chembl
CHEMBL100034	PF00077	Q72874	6.9	null	null	chembl
CHEMBL100039	PF00077	Q72874	7.89	null	null	chembl
CHEMBL10004	PF00079	P05121	6.54	null	null	chembl
CHEMBL100045	PF00001	P08913	6.24	null	null	chembl
CHEMBL100045	PF00001	P18089	6.54	null	null	chembl
CHEMBL100045	PF00001	P18825	6.29	null	null	chembl
CHEMBL100045	PF00001	P25100	6.14	null	null	chembl
CHEMBL100045	PF00001	P35348	7.71	null	null	chembl
CHEMBL100045	PF00001	P35368	6.72	null	null	chembl
CHEMBL100048	PF00077	Q72874	8.77	null	null	chembl
CHEMBL100052	PF00001	P25100	6.83	null	null	chembl
CHEMBL100052	PF00001	P35348	7.51	null	null	chembl
CHEMBL100052	PF00001	P35368	7.31	null	null	chembl
CHEMBL100057	PF00001	P08588	6	null	null	chembl
CHEMBL100057	PF00001	P13945	7.54	null	null	chembl
CHEMBL100063	PF01401	P12821	8.62	null	null	chembl
CHEMBL100065	PF00001	P28336	6.16	null	null	chembl
CHEMBL10007	PF00001	P48039	6.59	null	null	chembl
CHEMBL10007	PF00001	P49286	8.19	null	null	chembl
CHEMBL100075	PF00194	P00915	7.96	null	null	chembl
CHEMBL100075	PF00194	P00918	8.15	null	null	chembl
CHEMBL100075	PF00194	Q95323	7.52	null	null	chembl
CHEMBL100077	PF00001	P41144	6.61	null	null	chembl
CHEMBL100086	PF00001	P19327	8.66	null	null	chembl
CHEMBL100086	PF00001	P28221	6.16	null	null	chembl
CHEMBL100088	PF00001	O70528	6.96	null	null	chembl
CHEMBL100089	PF00077	Q72874	9.3	null	null	chembl
CHEMBL10009	PF00067	P33261	6.4	null	Active	chembl
CHEMBL10009	PF00001	P48039	8.35	null	null	chembl
CHEMBL10009	PF00001	P49286	10.3	null	null	chembl
CHEMBL100091	PF03098	P35354	7.22	null	null	chembl
CHEMBL100092	PF03098	P35354	7.22	null	null	chembl
CHEMBL100103	PF03073	P16257	7.18	null	null	chembl
CHEMBL100104	PF00001	P48039	7.2	null	null	chembl
CHEMBL100104	PF00001	P49286	8.78	null	null	chembl
CHEMBL100111	PF00001	P33535	8.38	null	null	chembl
CHEMBL100114	PF00656	P42574	6.58	null	null	chembl
CHEMBL100116	PF00001	P35372	8.57	null	1234111	chembl
CHEMBL100116	PF00001	P41143	7.21	null	null	chembl
CHEMBL100116	PF00001	P41145	8.66	null	null	chembl
CHEMBL100116	PF04622	Q60492	8.54	null	null	chembl
CHEMBL100116	PF04622	Q99720	8.33	null	null	chembl
CHEMBL100119	PF00001	P35351	9.6	null	null	chembl
CHEMBL100124	PF00001	P13945	7.7	null	null	chembl
CHEMBL100125	PF00001	P31389	6.18	null	null	chembl
CHEMBL100138	PF00001	P13945	6.89	null	null	chembl
CHEMBL10014	PF00079	P05121	6.3	null	null	chembl
CHEMBL100141	PF00001	P25103	7.44	null	null	chembl
CHEMBL100145	PF00001	P21556	6.77	null	null	chembl
CHEMBL100147	PF00001	P08172	8.7	null	null	chembl
CHEMBL100147	PF00001	P11229	9.7	null	null	chembl
CHEMBL100149	PF00001	P19327	7.57	null	null	chembl
CHEMBL100150	PF00001	P21556	7.72	null	null	chembl
CHEMBL100154	PF00348	P14324	7.94	null	null	chembl
CHEMBL100159	PF00001	P21556	6.62	null	null	chembl
CHEMBL10016	PF00001	P24530	7.3	null	null	chembl
CHEMBL10016	PF00001	P25101	7.52	null	null	chembl
CHEMBL100163	PF00001	P11229	7.17	null	null	chembl
CHEMBL100178	PF00001	P14600	6.8	null	null	chembl
CHEMBL100180	PF00494	Q02769	6.7	null	null	chembl
CHEMBL100184	PF00001	P19327	6.67	null	null	chembl
CHEMBL10019	PF00001	P24530	6.07	null	null	chembl
CHEMBL10019	PF00001	P25101	7.22	null	null	chembl
CHEMBL100190	PF00001	P21556	7.52	null	null	chembl
CHEMBL100195	PF00001	P0DMS8	7.48	null	null	chembl
CHEMBL100195	PF00001	P25099	7.34	null	null	chembl
CHEMBL100195	PF00001	P30543	7.7	null	null	chembl
CHEMBL100198	PF00001	P25100	6.7	null	null	chembl
CHEMBL100198	PF00001	P35348	7.7	null	null	chembl
CHEMBL100198	PF00001	P35368	7.1	null	null	chembl
CHEMBL100199	PF00001	O70528	7.77	null	null	chembl
CHEMBL1002	PF00001	P07550	6.84	null	null	chembl
CHEMBL10020	PF00001	P29371	7.52	null	null	chembl
CHEMBL100201	PF00001	P21556	6.52	null	null	chembl
CHEMBL100203	PF00001	P14416	6.96	null	null	chembl
CHEMBL100203	PF00001	P21917	8.52	null	null	chembl

End of preview. Expand in Data Studio

README.md exists but content is empty.

Downloads last month: 61

Size of downloaded dataset files:

Size of the auto-converted Parquet files:

Number of rows: