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Gian Marco Ghiandoni
Gian Marco Ghiandoni
在 astrazeneca.com 的电子邮件经过验证 - 首页
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引用次数
引用次数
年份
Development and application of a data-driven reaction classification model: comparison of an electronic lab notebook and medicinal chemistry literature
GM Ghiandoni, MJ Bodkin, B Chen, D Hristozov, JEA Wallace, J Webster, ...
Journal of Chemical Information and Modeling 59 (10), 4167-4187, 2019
442019
Enhancing reaction-based de novo design using a multi-label reaction class recommender
GM Ghiandoni, MJ Bodkin, B Chen, D Hristozov, JEA Wallace, J Webster, ...
Journal of Computer-Aided Molecular Design 34, 783-803, 2020
212020
Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules
GM Ghiandoni, E Caldeweyher
Scientific Reports 13 (1), 4143, 2023
152023
RENATE: A pseudo‐retrosynthetic tool for synthetically accessible de novo design
GM Ghiandoni, MJ Bodkin, B Chen, D Hristozov, JEA Wallace, J Webster, ...
Molecular Informatics, 2100207, 2021
92021
pIChemiSt ─ Free tool for the calculation of isoelectric points of modified peptides
AI Frolov, SV Chankeshwara, Z Abdulkarim, GM Ghiandoni
Journal of Chemical Information and Modeling, 2022
72022
Augmenting DMTA using predictive AI modelling at AstraZeneca
GM Ghiandoni, E Evertsson, DJ Riley, C Tyrchan, PC Rathi
Drug Discovery Today, 103945, 2024
3*2024
Enhancing reaction-based de novo design using machine learning
GM Ghiandoni
University of Sheffield, 2019
22019
Synthetically accessible de novo design using reaction vectors: Application to PARP1 inhibitors
GM Ghiandoni, SR Flanagan, MJ Bodkin, MG Nizi, A Galera-Prat, A Brai, ...
Molecular Informatics, 2024
12024
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