970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
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Abstract
GDB-13 enumerates small organic molecules containing up to 13 atoms of C, N, O, S, and Cl following simple chemical stability and synthetic feasibility rules. With 977,468,314 structures, GDB-13 is the largest publicly available small organic molecule database to date.
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907
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- 32.97
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- 100%
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2Topics & keywords
Topics
Keywords
- Chemistry
- Database
- Virtual screening
- Chemical database
- Computational chemistry
- Organic chemistry
- Computer science
- Molecular dynamics
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