Philippe Schwaller
Overview
Explore the profile of Philippe Schwaller including associated specialties, affiliations and a list of published articles.
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Articles
36
Citations
939
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Recent Articles
1.
Zhang K, Schwaller P, Fenner K
Environ Sci Technol
. 2025 Feb;
59(9):4518-4529.
PMID: 40014371
Assessing chemical environmental impacts is critical but challenging due to the time-consuming nature of experimental testing. Graph neural networks (GNNs) support superior prediction performance and mechanistic interpretation of (eco-)toxicity data,...
2.
Zaza L, Rankovic B, Schwaller P, Buonsanti R
J Am Chem Soc
. 2025 Feb;
147(7):6116-6125.
PMID: 39916674
The ability to precisely design colloidal nanocrystals (NCs) has far-reaching implications in optoelectronics, catalysis, biomedicine, and beyond. Achieving such control is generally based on a trial-and-error approach. Data-driven synthesis holds...
3.
Marchand A, Buckley S, Schneuing A, Pacesa M, Elia M, Gainza P, et al.
Nature
. 2025 Jan;
639(8054):522-531.
PMID: 39814890
Molecular recognition events between proteins drive biological processes in living systems. However, higher levels of mechanistic regulation have emerged, in which protein-protein interactions are conditioned to small molecules. Despite recent...
4.
Wellawatte G, Schwaller P
Commun Chem
. 2025 Jan;
8(1):11.
PMID: 39809811
Explainable Artificial Intelligence (XAI) is an emerging field in AI that aims to address the opaque nature of machine learning models. Furthermore, it has been shown that XAI can be...
5.
Anker A, Aspuru-Guzik A, Bechtel T, Bigi F, Briling K, Das B, et al.
Faraday Discuss
. 2024 Dec;
256(0):639-663.
PMID: 39692150
No abstract available.
6.
Albornoz R, Antypov D, Blanke G, Borges Jr I, Marulanda Bran A, Cheung J, et al.
Faraday Discuss
. 2024 Dec;
256(0):520-550.
PMID: 39692143
No abstract available.
7.
Anker A, Aspuru-Guzik A, Ben Mahmoud C, Bennett S, Briling K, Changiarath A, et al.
Faraday Discuss
. 2024 Dec;
256(0):373-412.
PMID: 39670482
No abstract available.
8.
Casetti N, Nevatia P, Chen J, Schwaller P, Coley C
J Chem Phys
. 2024 Nov;
161(20).
PMID: 39601289
No abstract available.
9.
Borges B, Foroutan N, Bayazit D, Sotnikova A, Montariol S, Nazaretzky T, et al.
Proc Natl Acad Sci U S A
. 2024 Nov;
121(49):e2414955121.
PMID: 39589890
AI assistants, such as ChatGPT, are being increasingly used by students in higher education institutions. While these tools provide opportunities for improved teaching and education, they also pose significant challenges...
10.
Vaucher A, Schwaller P, Geluykens J, Nair V, Iuliano A, Laino T
Nat Commun
. 2024 Nov;
15(1):9968.
PMID: 39557845
No abstract available.