"Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using ..."

William Bort et al. (2022)

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DOI: 10.1021/ACS.JCIM.2C01086

access: closed

type: Journal Article

metadata version: 2024-10-06

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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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