205 related articles for article (PubMed ID: 35452226)
1. RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis Software.
Liu CH; Korablyov M; Jastrzębski S; Włodarczyk-Pruszyński P; Bengio Y; Segler M
J Chem Inf Model; 2022 May; 62(10):2293-2300. PubMed ID: 35452226
[TBL] [Abstract][Full Text] [Related]
2. The Synthesizability of Molecules Proposed by Generative Models.
Gao W; Coley CW
J Chem Inf Model; 2020 Dec; 60(12):5714-5723. PubMed ID: 32250616
[TBL] [Abstract][Full Text] [Related]
3. Artificial Intelligence-Enabled De Novo Design of Novel Compounds that Are Synthesizable.
Bhisetti G; Fang C
Methods Mol Biol; 2022; 2390():409-419. PubMed ID: 34731479
[TBL] [Abstract][Full Text] [Related]
4. Integrating synthetic accessibility with AI-based generative drug design.
Parrot M; Tajmouati H; da Silva VBR; Atwood BR; Fourcade R; Gaston-Mathé Y; Do Huu N; Perron Q
J Cheminform; 2023 Sep; 15(1):83. PubMed ID: 37726842
[TBL] [Abstract][Full Text] [Related]
5. De novo drug design.
Hartenfeller M; Schneider G
Methods Mol Biol; 2011; 672():299-323. PubMed ID: 20838974
[TBL] [Abstract][Full Text] [Related]
6. Fake it until you make it? Generative de novo design and virtual screening of synthesizable molecules.
Stanley M; Segler M
Curr Opin Struct Biol; 2023 Oct; 82():102658. PubMed ID: 37473637
[TBL] [Abstract][Full Text] [Related]
7. FSM-DDTR: End-to-end feedback strategy for multi-objective De Novo drug design using transformers.
Monteiro NRC; Pereira TO; Machado ACD; Oliveira JL; Abbasi M; Arrais JP
Comput Biol Med; 2023 Sep; 164():107285. PubMed ID: 37557054
[TBL] [Abstract][Full Text] [Related]
8. Flux (1): a virtual synthesis scheme for fragment-based de novo design.
Fechner U; Schneider G
J Chem Inf Model; 2006; 46(2):699-707. PubMed ID: 16563000
[TBL] [Abstract][Full Text] [Related]
9. Target-specific novel molecules with their recipe: Incorporating synthesizability in the design process.
Krishnan SR; Bung N; Srinivasan R; Roy A
J Mol Graph Model; 2024 Jun; 129():108734. PubMed ID: 38442440
[TBL] [Abstract][Full Text] [Related]
10. Applications of Deep Learning in Molecule Generation and Molecular Property Prediction.
Walters WP; Barzilay R
Acc Chem Res; 2021 Jan; 54(2):263-270. PubMed ID: 33370107
[TBL] [Abstract][Full Text] [Related]
11. LEADD: Lamarckian evolutionary algorithm for de novo drug design.
Kerstjens A; De Winter H
J Cheminform; 2022 Jan; 14(1):3. PubMed ID: 35033209
[TBL] [Abstract][Full Text] [Related]
12. Deep Learning Applied to Ligand-Based De Novo Drug Design.
Palazzesi F; Pozzan A
Methods Mol Biol; 2022; 2390():273-299. PubMed ID: 34731474
[TBL] [Abstract][Full Text] [Related]
13. Generative machine learning for de novo drug discovery: A systematic review.
Martinelli DD
Comput Biol Med; 2022 Jun; 145():105403. PubMed ID: 35339849
[TBL] [Abstract][Full Text] [Related]
14. Critical assessment of synthetic accessibility scores in computer-assisted synthesis planning.
Skoraczyński G; Kitlas M; Miasojedow B; Gambin A
J Cheminform; 2023 Jan; 15(1):6. PubMed ID: 36641473
[TBL] [Abstract][Full Text] [Related]
15. Reaction-driven de novo design, synthesis and testing of potential type II kinase inhibitors.
Schneider G; Geppert T; Hartenfeller M; Reisen F; Klenner A; Reutlinger M; Hähnke V; Hiss JA; Zettl H; Keppner S; Spänkuch B; Schneider P
Future Med Chem; 2011 Mar; 3(4):415-24. PubMed ID: 21452978
[TBL] [Abstract][Full Text] [Related]
16. Recent Advances in Automated Structure-Based De Novo Drug Design.
Tang Y; Moretti R; Meiler J
J Chem Inf Model; 2024 Mar; 64(6):1794-1805. PubMed ID: 38485516
[TBL] [Abstract][Full Text] [Related]
17. From Target to Drug: Generative Modeling for the Multimodal Structure-Based Ligand Design.
Skalic M; Sabbadin D; Sattarov B; Sciabola S; De Fabritiis G
Mol Pharm; 2019 Oct; 16(10):4282-4291. PubMed ID: 31437001
[TBL] [Abstract][Full Text] [Related]
18. Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph.
Li B; Chen H
Molecules; 2022 Feb; 27(3):. PubMed ID: 35164303
[TBL] [Abstract][Full Text] [Related]
19. De Novo Peptide and Protein Design Using Generative Adversarial Networks: An Update.
Lin E; Lin CH; Lane HY
J Chem Inf Model; 2022 Feb; 62(4):761-774. PubMed ID: 35128926
[TBL] [Abstract][Full Text] [Related]
20. MolAICal: a soft tool for 3D drug design of protein targets by artificial intelligence and classical algorithm.
Bai Q; Tan S; Xu T; Liu H; Huang J; Yao X
Brief Bioinform; 2021 May; 22(3):. PubMed ID: 32778891
[TBL] [Abstract][Full Text] [Related]
[Next] [New Search]