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  3. openadmet/Octant_CYP_inhibition_reactivity_blog_release

openadmet

Octant_CYP_inhibition_reactivity_blog_release

Octant CYP inhibition and chemical reactivity dataset measuring cytochrome P450 activity across a diverse compound library for ADMET modelling.

Original source
Rows
51,414
On disk
—
Downloads
474

Last 30 days

Updated
27d ago

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Column statistics

How the columns are distributed

Over 1,340 rows of inhibition/train

CYP3A4_pIC50

float
min
1.80
median
5.36
mean
5.23
max
7.47

19.1% empty

CYP3A4_pIC50_ci_lower

float

Splits

5
  • inhibition/train
  • inhibition_detailed/train
  • reactivity/train
  • reactivity_detailed/train
  • will_it_fly/train

Query support

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Provenance

Licence
cc-by-4.0
Likes
3
min
1.03
median
5.32
mean
5.10
max
7.43

19.1% empty

CYP3A4_pIC50_ci_upper

float
min
2.99
median
5.40
mean
5.35
max
7.51

19.1% empty

CYP3A4_pIC50_se

float
min
9.7e-3
median
0.02
mean
0.07
max
0.68

19.1% empty

activity_status

string_label
  • YES89%
  • NO11%

direction

string_label
  • DOWN89%
  • FLAT11%

drc_qc_flag

string_label
  • PASS85%
  • FAIL INCOMPLETE14%
  • FAIL BASELINE1%

drc_qc_status

string_label
  • PASS85%
  • FAIL15%

emax_log2fc

float
min
-11.34
median
-3.70
mean
-3.80
max
-1.01

ocnt_batch

string_text
min
19
median
19
mean
19
max
19

plate_qc_status

string_label
  • PASS93%
  • FAIL7%

qc_flag_primary

string_label
  • PASS85%
  • INCOMPLETE14%
  • BASELINE1%

rollover_status

string_label
  • NO99%
  • YES1%

saturation_status

string_label
  • NO58%
  • YES41%
  • UNKNOWN1%

slope_log2

float
min
-0.49
median
0.46
mean
0.49
max
2.60

standardized_smiles

string_text
min
19
median
56
mean
55.01
max
173

Fields

MedicineChemistry