DeepAC – conditional transformer-based chemical language model for the prediction of activity cliffs formed by bioactive compounds
نویسندگان
چکیده
Activity cliffs (ACs) are formed by pairs of structurally similar or analogous active small molecules with large differences in potency.
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ژورنال
عنوان ژورنال: Digital discovery
سال: 2022
ISSN: ['2635-098X']
DOI: https://doi.org/10.1039/d2dd00077f