Table 1 Data source and the available corresponding information.
From: A curated diverse molecular database of blood-brain barrier permeability with chemical descriptors
ID | Data Source Size | Information Available | Data Type | Reference |
|---|---|---|---|---|
R1 | 2053 | name, smiles | categorical data | |
R2 | 1210 | name, smiles | categorical data, numerical data | |
R3 | 328 | name, smiles | numerical data | |
R4 | 189 | CAS, name, smiles | numerical data | |
R5 | 108 | name, smiles | numerical data | |
R6 | 1692 | name, smiles | categorical data | |
R7 | 224 | name | categorical data | |
R8 | 439 | smiles, CID | numerical data | |
R9 | 415 | name, smiles | categorical data | |
R10 | 462 | name, CID | categorical data | |
R11 | 151 | name, logBB | numerical data | |
R12 | 182 | name, smiles | numerical data | |
R13 | 2321 | smiles | categorical data | |
R14 | 942 | name, smiles | categorical data | |
R15 | 390 | name | categorical data | |
R16 | 374 | name, CID | categorical data | |
R17 | 55 | name | numerical data | |
R18 | 332 | name, smiles | numerical data | |
R19 | 1990 | name, smiles | categorical data | |
R20 | 139 | name | numerical data | |
R21 | 362 | name, smiles, CID | numerical data | |
R22 | 27 | name | numerical data | |
R23 | 1090 | name, smiles | categorical data | |
R24 | 1866 | smiles | categorical data | |
R25 | 581 | name, smiles | numerical data | |
R26 | 448 | CAS, name, smiles | categorical data, numerical data | |
R27 | 7236 | smiles | categorical data, numerical data | |
R28 | 415 | name, smiles | categorical data | |
R29 | 181 | name | categorical data | |
R30 | 3620 | name, smiles | categorical data | 53 * |
R31 | 12 | name | numerical data | |
R32 | 26 | name | numerical data | |
R33 | 26 | name | numerical data | |
R34 | 153 | name | numerical data | |
R35 | 145 | smiles | numerical data | |
R36 | 525 | name, smiles | categorical data | |
R37 | 111 | name, smiles | categorical data | |
R38 | 291 | name, smiles | numerical data | |
R39 | 122 | name | numerical data | |
R40 | 405 | name | numerical data | |
R41 | 296 | smiles | numerical data | |
R42 | 45 | smiles | numerical data | |
R43 | 328 | name, smiles | numerical data | |
R44 | 89 | name | numerical data | |
R45 | 8 | smiles | numerical data | |
R46 | 483 | smiles | numerical data | |
R47 | 529 | name | numerical data | |
R48 | 115 | smiles | numerical data | |
R49 | 181 | name, smiles | numerical data | |
R50 | 113 | name, smiles | categorical data, numerical data |
