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"Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using ..."
William Bort et al. (2022)
- William Bort, Daniyar Mazitov
, Dragos Horvath
, Fanny Bonachéra, Arkadii I. Lin, Gilles Marcou
, Igor I. Baskin
, Timur I. Madzhidov
, Alexandre Varnek
:
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder. J. Chem. Inf. Model. 62(22): 5471-5484 (2022)
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