Gian Marco Ghiandoni

Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry Literature

Gian Marco Ghiandoni, Michael J. Bodkin, Beining Chen et al. · Journal of Chemical Information and Modeling · 2019 · 52 citations · Full text

Computing, Computer Science, Medicinal Chemistry +13

Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules

Gian Marco Ghiandoni, Eike Caldeweyher · Scientific Reports · 2023 · 38 citations · Full text

Natural Sciences, Chemistry, Medicinal Chemistry +17

Augmenting DMTA using predictive AI modelling at AstraZeneca

Gian Marco Ghiandoni, Emma Evertsson, D. Riley et al. · Drug Discovery Today · 2024 · 30 citations · Full text

Pharmacy, Pharmacology, Drug Design +9

pIChemiSt ─ Free Tool for the Calculation of Isoelectric Points of Modified Peptides

Andrey I. Frolov, Sunay V. Chankeshwara, Zeyed Abdulkarim et al. · Journal of Chemical Information and Modeling · 2022 · 27 citations · Full text

Life Sciences, Biochemistry, Biophysics +17

Enhancing reaction-based de novo design using a multi-label reaction class recommender

Gian Marco Ghiandoni, Michael J. Bodkin, Beining Chen et al. · Journal of Computer-Aided Molecular Design · 2020 · 19 citations · Full text

Pharmacy, Medicinal Chemistry, Computational Chemistry +8