Maxime Langevin
Overview
Explore the profile of Maxime Langevin including associated specialties, affiliations and a list of published articles.
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5
Citations
232
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Recent Articles
1.
Langevin M, Grebner C, Gussregen S, Sauer S, Li Y, Matter H, et al.
ACS Omega
. 2023 Jul;
8(25):23148-23167.
PMID: 37396211
Molecular generative artificial intelligence is drawing significant attention in the drug design community, with several experimentally validated proof of concepts already published. Nevertheless, generative models are known for sometimes generating...
2.
Schleinitz J, Langevin M, Smail Y, Wehnert B, Grimaud L, Vuilleumier R
J Am Chem Soc
. 2022 Aug;
144(32):14722-14730.
PMID: 35939717
Synthetic yield prediction using machine learning is intensively studied. Previous work has focused on two categories of data sets: high-throughput experimentation data, as an ideal case study, and data sets...
3.
Langevin M, Vuilleumier R, Bianciotto M
J Cheminform
. 2022 Apr;
14(1):20.
PMID: 35365218
Despite growing interest and success in automated in-silico molecular design, questions remain regarding the ability of goal-directed generation algorithms to perform unbiased exploration of novel chemical spaces. A specific phenomenon...
4.
Gayoso A, Lopez R, Xing G, Boyeau P, Amiri V, Hong J, et al.
Nat Biotechnol
. 2022 Feb;
40(2):163-166.
PMID: 35132262
No abstract available.
5.
Langevin M, Minoux H, Levesque M, Bianciotto M
J Chem Inf Model
. 2020 Dec;
60(12):5637-5646.
PMID: 33301333
One of the major applications of generative models for drug discovery targets the lead-optimization phase. During the optimization of a lead series, it is common to have scaffold constraints imposed...