Suchergebnisse - "Ghiandoni, Gian Marco"

PubPharm (11)

1

Synthetically accessible de novo design using reaction vectors : Application to PARP1 inhibitors

enthalten in: Molecular informatics | 2024

von Ghiandoni, G. | Flanagan, S. | Bodkin, M. | +11

2

Augmenting DMTA using predictive AI modelling at AstraZeneca

enthalten in: Drug discovery today | 2024

von Ghiandoni, G. | Evertsson, E. | Riley, D. | +2

3

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

enthalten in: Scientific reports | 2023

von Ghiandoni, G. | Caldeweyher, E.

4

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

enthalten in: Journal of chemical information and modeling | 2023

von Frolov, A. | Chankeshwara, S. | Abdulkarim, Z. | +1

5

RENATE : A Pseudo-retrosynthetic Tool for Synthetically Accessible de novo Design

enthalten in: Molecular informatics | 2022

von Ghiandoni, G. | Bodkin, M. | Chen, B. | +4

6

RENATE : A Pseudo‐retrosynthetic Tool for Synthetically Accessible de novo Design

enthalten in: Molecular Informatics | 2022

von Ghiandoni, G. | Bodkin, M. | Chen, B. | +4

7

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

enthalten in: Journal of computer-aided molecular design | 2020

von Ghiandoni, G. | Bodkin, M. | Chen, B. | +4

8

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

enthalten in: Journal of computer aided molecular design | 2020

von Ghiandoni, G. | Bodkin, M. | Chen, B. | +4

9

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

enthalten in: Journal of computer aided molecular design | 2020

von Ghiandoni, G. | Bodkin, M. | Chen, B. | +4

10

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

enthalten in: Journal of computer aided molecular design | 2020

von Ghiandoni, G. | Bodkin, M. | Chen, B. | +4