Molecular descriptors as proxies for the modeling of the materials and their environmental impact by Ivan Juranić

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Quadratic descriptors and reduction methods in a two-layered model for compound inference by Jianshen Zhu, Naveed Ahmed Azam, Shengjuan Cao, Ryota Ido, Kazuya Haraguchi, Liang Zhao, Hiroshi Nagamochi, Tatsuya Akutsu

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Cycle-configuration descriptors: a novel graph-theoretic approach to enhancing molecular inference by Bowen Song, Jianshen Zhu, Naveed Ahmed Azam, Kazuya Haraguchi, Liang Zhao, Tatsuya Akutsu

Subjects: “…Inverse QSAR/QSPR…”
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Enhanced prediction of ionic liquid toxicity using a meta-ensemble learning framework with data augmentation by Safa Sadaghiyanfam, Hiqmet Kamberaj, Yalcin Isler

Subjects: “…Quantitative Structure-Activity/Property Relationship (QSAR/QSPR)…”
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