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Using molecular embeddings in QSAR modeling: does it make a difference?
Brief Bioinform. 2022 Jan 17;23(1):bbab365. doi: 10.1093/bib/bbab365.
Brief Bioinform. 2022.
PMID: 34498670
Review.
Multitask Deep Neural Networks for Ames Mutagenicity Prediction.
Martínez MJ, Sabando MV, Soto AJ, Roca C, Requena-Triguero C, Campillo NE, Páez JA, Ponzoni I.
Martínez MJ, et al. Among authors: sabando mv.
J Chem Inf Model. 2022 Dec 26;62(24):6342-6351. doi: 10.1021/acs.jcim.2c00532. Epub 2022 Sep 6.
J Chem Inf Model. 2022.
PMID: 36066065
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ChemVA: Interactive Visual Analysis of Chemical Compound Similarity in Virtual Screening.
Sabando MV, Ulbrich P, Selzer M, Byska J, Mican J, Ponzoni I, Soto AJ, Ganuza ML, Kozlikova B.
Sabando MV, et al.
IEEE Trans Vis Comput Graph. 2021 Feb;27(2):891-901. doi: 10.1109/TVCG.2020.3030438. Epub 2021 Jan 29.
IEEE Trans Vis Comput Graph. 2021.
PMID: 33048734
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