Statistical-based database fingerprint: chemical space dependent representation of compound databases
Abstract Background Simplified representation of compound databases has several applications in cheminformatics. Herein, we introduce an alternative and general method to build single fingerprint representations of compound databases. The approach is inspired on the previously published modal finger...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2018-11-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | http://link.springer.com/article/10.1186/s13321-018-0311-x |