ARTICLE
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doi:10.20944/preprints202207.0453.v1
Subject:
Computer Science And Mathematics,
Mathematical And Computational Biology
Keywords:
pharmacophore; pharmacophore modelling; quantitative pharmacophore; QSAR; machine learning; pharmacophore optimization; NeuroDeRisk
Online: 29 July 2022 (08:47:49 CEST)
ARTICLE
Subject:
Engineering,
Bioengineering
Keywords:
AI; deep-learning; neural-networks; graph neural-networks; cheminformatics; molecular property; machine-learning; computational chemistry; lipophilicity; solubility
Online: 1 October 2021 (14:29:01 CEST)