These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

503 related articles for article (PubMed ID: 30887799)

  • 1. GuacaMol: Benchmarking Models for de Novo Molecular Design.
    Brown N; Fiscato M; Segler MHS; Vaucher AC
    J Chem Inf Model; 2019 Mar; 59(3):1096-1108. PubMed ID: 30887799
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Shape-Based Generative Modeling for de Novo Drug Design.
    Skalic M; Jiménez J; Sabbadin D; De Fabritiis G
    J Chem Inf Model; 2019 Mar; 59(3):1205-1214. PubMed ID: 30762364
    [TBL] [Abstract][Full Text] [Related]  

  • 3. MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design.
    Thomas M; O'Boyle NM; Bender A; De Graaf C
    J Cheminform; 2024 May; 16(1):64. PubMed ID: 38816825
    [TBL] [Abstract][Full Text] [Related]  

  • 4. Graph-based generative models for de Novo drug design.
    Xia X; Hu J; Wang Y; Zhang L; Liu Z
    Drug Discov Today Technol; 2019 Dec; 32-33():45-53. PubMed ID: 33386094
    [TBL] [Abstract][Full Text] [Related]  

  • 5. De Novo Molecule Design by Translating from Reduced Graphs to SMILES.
    Pogány P; Arad N; Genway S; Pickett SD
    J Chem Inf Model; 2019 Mar; 59(3):1136-1146. PubMed ID: 30525594
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Generative Adversarial Networks for De Novo Molecular Design.
    Lee YJ; Kahng H; Kim SB
    Mol Inform; 2021 Oct; 40(10):e2100045. PubMed ID: 34622551
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Mothra: Multiobjective
    Suzuki T; Ma D; Yasuo N; Sekijima M
    J Chem Inf Model; 2024 Oct; 64(19):7291-7302. PubMed ID: 39317969
    [TBL] [Abstract][Full Text] [Related]  

  • 8. MUBD-DecoyMaker 2.0: A Python GUI Application to Generate Maximal Unbiased Benchmarking Data Sets for Virtual Drug Screening.
    Xia J; Li S; Ding Y; Wu S; Wang XS
    Mol Inform; 2020 Apr; 39(4):e1900151. PubMed ID: 31828959
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Deep learning for molecular generation.
    Xu Y; Lin K; Wang S; Wang L; Cai C; Song C; Lai L; Pei J
    Future Med Chem; 2019 Mar; 11(6):567-597. PubMed ID: 30698019
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Exploring Tunable Hyperparameters for Deep Neural Networks with Industrial ADME Data Sets.
    Zhou Y; Cahya S; Combs SA; Nicolaou CA; Wang J; Desai PV; Shen J
    J Chem Inf Model; 2019 Mar; 59(3):1005-1016. PubMed ID: 30586300
    [TBL] [Abstract][Full Text] [Related]  

  • 11.
    Grant LL; Sit CS
    RSC Med Chem; 2021 Aug; 12(8):1273-1280. PubMed ID: 34458735
    [No Abstract]   [Full Text] [Related]  

  • 12. 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]  

  • 13. Deep reinforcement learning for de novo drug design.
    Popova M; Isayev O; Tropsha A
    Sci Adv; 2018 Jul; 4(7):eaap7885. PubMed ID: 30050984
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Comprehensive assessment of deep generative architectures for de novo drug design.
    Wang M; Sun H; Wang J; Pang J; Chai X; Xu L; Li H; Cao D; Hou T
    Brief Bioinform; 2022 Jan; 23(1):. PubMed ID: 34929743
    [TBL] [Abstract][Full Text] [Related]  

  • 15. 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]  

  • 16. Generative Models Should at Least Be Able to Design Molecules That Dock Well: A New Benchmark.
    Ciepliński T; Danel T; Podlewska S; Jastrzȩbski S
    J Chem Inf Model; 2023 Jun; 63(11):3238-3247. PubMed ID: 37224003
    [TBL] [Abstract][Full Text] [Related]  

  • 17. 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]  

  • 18. DrugSynthMC: An Atom-Based Generation of Drug-like Molecules with Monte Carlo Search.
    Roucairol M; Georgiou A; Cazenave T; Prischi F; Pardo OE
    J Chem Inf Model; 2024 Sep; 64(18):7097-7107. PubMed ID: 39249497
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Navigating the frontier of drug-like chemical space with cutting-edge generative AI models.
    Lavecchia A
    Drug Discov Today; 2024 Sep; 29(9):104133. PubMed ID: 39103144
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Generative Deep Learning for Targeted Compound Design.
    Sousa T; Correia J; Pereira V; Rocha M
    J Chem Inf Model; 2021 Nov; 61(11):5343-5361. PubMed ID: 34699719
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 26.