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  3. openadmet/openadmet-expansionrx-challenge-data

openadmet

openadmet-expansionrx-challenge-data

Full ExpansionRx challenge dataset of RNA-targeted small-molecule compounds with measured ADMET properties for open pharmacokinetics benchmarking.

Original source
Rows
15,226
On disk
—
Downloads
2.0k

Last 30 days

Updated
Jan 27

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Column statistics

How the columns are distributed

Over 5,326 rows of default/train

Caco-2 Permeability Efflux

float
min
0.26
median
1.38
mean
4.22
max
105.64

59.4% empty

Caco-2 Permeability Papp A>B

float

Splits

3
  • default/train
  • default/test
  • raw/train

Query support

  • Row preview
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  • Column statistics

Provenance

Licence
cc-by-4.0
Likes
12

Fields

MedicineChemistry
min
0
median
9.82
mean
12.40
max
51.41

59.5% empty

HLM CLint

float
min
0
median
16.40
mean
52.78
max
2589.90

29.4% empty

KSOL

float
min
2.9e-3
median
131
mean
146.34
max
325

3.7% empty

LogD

float
min
-2
median
2.10
mean
2.11
max
5.20

5.4% empty

MBPB

float
min
0
median
3.38
mean
7.67
max
99.23

81.7% empty

MGMB

float
min
0
median
4.42
mean
7.53
max
61.80

95.8% empty

MLM CLint

float
min
0
median
219.65
mean
560.53
max
10354.80

15.1% empty

MPPB

float
min
0
median
8.90
mean
14.75
max
87.60

75.6% empty

Molecule Name

string_text
min
9
median
9
mean
9
max
9

SMILES

string_text
min
22
median
46
mean
48.03
max
88
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