FP-ADMET: a compendium of fingerprint-based ADMET prediction models
Abstract Motivation The absorption, distribution, metabolism, excretion, and toxicity (ADMET) of drugs plays a key role in determining which among the potential candidates are to be prioritized. In silico approaches based on machine learning methods are becoming increasing popular, but are nonethele...
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| Format: | Article |
| Language: | English |
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BMC
2021-09-01
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| Series: | Journal of Cheminformatics |
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| Online Access: | https://doi.org/10.1186/s13321-021-00557-5 |