| PubChem |
Information about 109,907,032 unique chemical structures, 271,129,167 chemical entities, and 1,366,265 bioassays |
(69) |
| ZINC |
Over 230,000,000 commercially available
compounds for the purpose of virtual screening
in drug discovery |
(70) |
| CheMBL |
Over 2,086,898 bioactive molecules and 17,726,334 bioactivities for effective drug discovery |
(71) |
| ChemDB |
Over 5,000,000 commercially available small molecules intended for drug discovery |
(72) |
| ChemSpider |
Chemical structure data
for over 100,000,000 structures from
276 data soures |
(73) |
| DrugBank |
Over 200 data fields each
for 14,853 small drugs (including 2687
approved small drugs) |
(74) |
| The Materials Project |
Information about 131,613 inorganic compounds, 49,705 molecules, 530,243 nanoporous materials,
and 76,194 band structures |
(75) |
| GDB9 |
17 properties each of 134,000 neutral
molecules with up to nine atoms (CONF),
with the exception of hydrogen |
(76) |
| Pauling
File |
Information
about 310,000 crystal structures for 140,000 different phases, 44,000 phase diagrams,
and 120,000 physical properties |
(77) |
| AFLOW |
Information about 3,513,989 material
compounds with over 695,769,822 computed
properties |
(78) |
| HTEM DB |
37,093 compositional, 47,213 structural, 26,577 optical, and 12,849 electrical properties
of thin films |
(79) |
| OQMD |
DFT-calculated structural
and thermodynamic properties of 815,654 materials |
(80), (81) |
| SuperCon |
Superconducting properties
of 33,284 oxide and metallic samples
and 564 organic samples from the literature |
(82) |
