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 *

231 related articles for article (PubMed ID: 30499744)

  • 1. A review of ligand-based virtual screening web tools and screening algorithms in large molecular databases in the age of big data.
    Banegas-Luna AJ; Cerón-Carrasco JP; Pérez-Sánchez H
    Future Med Chem; 2018 Nov; 10(22):2641-2658. PubMed ID: 30499744
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Virtual screening web servers: designing chemical probes and drug candidates in the cyberspace.
    Singh N; Chaput L; Villoutreix BO
    Brief Bioinform; 2021 Mar; 22(2):1790-1818. PubMed ID: 32187356
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Artificial intelligence: Machine learning approach for screening large database and drug discovery.
    Parvatikar PP; Patil S; Khaparkhuntikar K; Patil S; Singh PK; Sahana R; Kulkarni RV; Raghu AV
    Antiviral Res; 2023 Dec; 220():105740. PubMed ID: 37935248
    [TBL] [Abstract][Full Text] [Related]  

  • 4. BRUSELAS: HPC Generic and Customizable Software Architecture for 3D Ligand-Based Virtual Screening of Large Molecular Databases.
    Banegas-Luna AJ; Cerón-Carrasco JP; Puertas-Martín S; Pérez-Sánchez H
    J Chem Inf Model; 2019 Jun; 59(6):2805-2817. PubMed ID: 31074975
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Critical comparison of virtual screening methods against the MUV data set.
    Tiikkainen P; Markt P; Wolber G; Kirchmair J; Distinto S; Poso A; Kallioniemi O
    J Chem Inf Model; 2009 Oct; 49(10):2168-78. PubMed ID: 19799417
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures.
    Hert J; Willett P; Wilton DJ; Acklin P; Azzaoui K; Jacoby E; Schuffenhauer A
    Org Biomol Chem; 2004 Nov; 2(22):3256-66. PubMed ID: 15534703
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Quantum probability ranking principle for ligand-based virtual screening.
    Al-Dabbagh MM; Salim N; Himmat M; Ahmed A; Saeed F
    J Comput Aided Mol Des; 2017 Apr; 31(4):365-378. PubMed ID: 28220440
    [TBL] [Abstract][Full Text] [Related]  

  • 8. SABRE: ligand/structure-based virtual screening approach using consensus molecular-shape pattern recognition.
    Wei NN; Hamza A
    J Chem Inf Model; 2014 Jan; 54(1):338-46. PubMed ID: 24328054
    [TBL] [Abstract][Full Text] [Related]  

  • 9. SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening.
    Zoete V; Daina A; Bovigny C; Michielin O
    J Chem Inf Model; 2016 Aug; 56(8):1399-404. PubMed ID: 27391578
    [TBL] [Abstract][Full Text] [Related]  

  • 10. FieldChopper, a new tool for automatic model generation and virtual screening based on molecular fields.
    Kalliokoski T; Ronkko T; Poso A
    J Chem Inf Model; 2008 Jun; 48(6):1131-7. PubMed ID: 18489083
    [TBL] [Abstract][Full Text] [Related]  

  • 11. mRAISE: an alternative algorithmic approach to ligand-based virtual screening.
    von Behren MM; Bietz S; Nittinger E; Rarey M
    J Comput Aided Mol Des; 2016 Aug; 30(8):583-94. PubMed ID: 27565795
    [TBL] [Abstract][Full Text] [Related]  

  • 12. The SwissSimilarity 2021 Web Tool: Novel Chemical Libraries and Additional Methods for an Enhanced Ligand-Based Virtual Screening Experience.
    Bragina ME; Daina A; Perez MAS; Michielin O; Zoete V
    Int J Mol Sci; 2022 Jan; 23(2):. PubMed ID: 35054998
    [TBL] [Abstract][Full Text] [Related]  

  • 13. A web-based platform for virtual screening.
    Watson P; Verdonk M; Hartshorn MJ
    J Mol Graph Model; 2003 Sep; 22(1):71-82. PubMed ID: 12798392
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Molecular fingerprint similarity search in virtual screening.
    Cereto-Massagué A; Ojeda MJ; Valls C; Mulero M; Garcia-Vallvé S; Pujadas G
    Methods; 2015 Jan; 71():58-63. PubMed ID: 25132639
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Bayesian screening for active compounds in high-dimensional chemical spaces combining property descriptors and molecular fingerprints.
    Vogt M; Bajorath J
    Chem Biol Drug Des; 2008 Jan; 71(1):8-14. PubMed ID: 18069988
    [TBL] [Abstract][Full Text] [Related]  

  • 16. A Free Web-Based Protocol to Assist Structure-Based Virtual Screening Experiments.
    Lagarde N; Goldwaser E; Pencheva T; Jereva D; Pajeva I; Rey J; Tuffery P; Villoutreix BO; Miteva MA
    Int J Mol Sci; 2019 Sep; 20(18):. PubMed ID: 31546814
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Application of the SwissDrugDesign Online Resources in Virtual Screening.
    Daina A; Zoete V
    Int J Mol Sci; 2019 Sep; 20(18):. PubMed ID: 31540350
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Chemometric analysis of ligand receptor complementarity: identifying Complementary Ligands Based on Receptor Information (CoLiBRI).
    Oloff S; Zhang S; Sukumar N; Breneman C; Tropsha A
    J Chem Inf Model; 2006; 46(2):844-51. PubMed ID: 16563016
    [TBL] [Abstract][Full Text] [Related]  

  • 19. How diverse are diversity assessment methods? A comparative analysis and benchmarking of molecular descriptor space.
    Koutsoukas A; Paricharak S; Galloway WR; Spring DR; Ijzerman AP; Glen RC; Marcus D; Bender A
    J Chem Inf Model; 2014 Jan; 54(1):230-42. PubMed ID: 24289493
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Performance of machine learning methods for ligand-based virtual screening.
    Plewczynski D; Spieser SA; Koch U
    Comb Chem High Throughput Screen; 2009 May; 12(4):358-68. PubMed ID: 19442065
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 12.