Francesca Grisoni
Overview
Explore the profile of Francesca Grisoni including associated specialties, affiliations and a list of published articles.
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Articles
66
Citations
1046
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Recent Articles
21.
van Tilborg D, Alenicheva A, Grisoni F
J Chem Inf Model
. 2022 Dec;
62(23):5938-5951.
PMID: 36456532
Machine learning has become a crucial tool in drug discovery and chemistry at large, , to predict molecular properties, such as bioactivity, with high accuracy. However, activity cliffs─pairs of molecules...
22.
Faquetti M, Grisoni F, Schneider P, Schneider G, Burden A
Sci Rep
. 2022 May;
12(1):7843.
PMID: 35551258
As there are no clear on-target mechanisms that explain the increased risk for thrombosis and viral infection or reactivation associated with JAK inhibitors, the observed elevated risk may be a...
23.
Moret M, Grisoni F, Katzberger P, Schneider G
J Chem Inf Model
. 2022 Feb;
62(5):1199-1206.
PMID: 35191696
Chemical language models (CLMs) can be employed to design molecules with desired properties. CLMs generate new chemical structures in the form of textual representations, such as the simplified molecular input...
24.
Grisoni F, Schneider G
Methods Mol Biol
. 2021 Nov;
2390:207-232.
PMID: 34731471
Artificial intelligence (AI) offers new possibilities for hit and lead finding in medicinal chemistry. Several instances of AI have been used for prospective de novo drug design. Among these, chemical...
25.
Mansouri K, Karmaus A, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, et al.
Environ Health Perspect
. 2021 Oct;
129(10):109001.
PMID: 34647794
No abstract available.
26.
Mansouri K, Karmaus A, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, et al.
Environ Health Perspect
. 2021 Jul;
129(7):79001.
PMID: 34242083
No abstract available.
27.
Moret M, Helmstadter M, Grisoni F, Schneider G, Merk D
Angew Chem Int Ed Engl
. 2021 Jun;
60(35):19477-19482.
PMID: 34165856
Chemical language models enable de novo drug design without the requirement for explicit molecular construction rules. While such models have been applied to generate novel compounds with desired bioactivity, the...
28.
Grisoni F, Huisman B, Button A, Moret M, Atz K, Merk D, et al.
Sci Adv
. 2021 Jun;
7(24).
PMID: 34117066
Automating the molecular design-make-test-analyze cycle accelerates hit and lead finding for drug discovery. Using deep learning for molecular design and a microfluidics platform for on-chip chemical synthesis, liver X receptor...
29.
Mansouri K, Karmaus A, Fitzpatrick J, Patlewicz G, Pradeep P, Alberga D, et al.
Environ Health Perspect
. 2021 Apr;
129(4):47013.
PMID: 33929906
Background: Humans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory...
30.
Decherchi S, Grisoni F, Tiwary P, Cavalli A
Front Mol Biosci
. 2021 Apr;
8:673773.
PMID: 33928128
No abstract available.