F
Francesca Grisoni
Researcher at ETH Zurich
Publications - 83
Citations - 2814
Francesca Grisoni is an academic researcher from ETH Zurich. The author has contributed to research in topics: Computer science & Medicine. The author has an hindex of 19, co-authored 72 publications receiving 1505 citations. Previous affiliations of Francesca Grisoni include University of Milano-Bicocca & University of Milan.
Papers
More filters
Journal ArticleDOI
Deep Ranking Analysis by Power Eigenvectors (DRAPE): A wizard for ranking and multi-criteria decision making
TL;DR: A new ranking approach is presented, named Deep Ranking Analysis by Kendall Eigenvectors (DRAKE), which is based on the Power-Weakness Ratio analysis and provides a set of sequential rankings that allows to gather deeper insights into the analysed dataset.
Journal ArticleDOI
Editorial: Molecular Dynamics and Machine Learning in Drug Discovery.
Journal ArticleDOI
Chemical language models for de novo drug design: Challenges and opportunities.
TL;DR: The authors provides an overview of the current state-of-the-art of chemical language models for de novo drug design, and analyses current limitations, challenges, and advantages, and a perspective on future opportunities.
Posted Content
Geometric Deep Learning on Molecular Representations
TL;DR: Geometric deep learning (GDL) has emerged as a recent paradigm in artificial intelligence as discussed by the authors and has shown particular promise in molecular modeling applications, in which various molecular representations with different symmetry properties and levels of abstraction exist.
Book ChapterDOI
Molecular Scaffold Hopping via Holistic Molecular Representation.
TL;DR: The Weighted Holistic Atom Localization and Entity Shape (WHALES) descriptors were originally designed for scaffold hopping from natural products to synthetic molecules as mentioned in this paper, which capture molecular shape and partial charges simultaneously.