Open Access   Special Issue    Topic

New methods for relevant applications in drug design

  • Special Issue Description
  • Keywords
  • Manuscript Submission information
  • Published Articles
  •   This special issue belongs to

      Research & Reviews: A Journal of Bioinformatics

      Related section


      Deadline for Manuscript Submission

      March 31st, 2023

      Deadline for Publication

      April 15, 2023

    Special Issue Description

    Dear Collegues,

    De novo drug design is a computational method for creating novel molecular structures from atomic building blocks with no prior knowledge of their relationships. Over the last three decades, software-based drug discovery and development methods have played a significant role in the development of bioactive compounds.
    These methods are conventional methods, including structure-based and ligand-based designs, which are based on the properties of a biological target's active site or known active binders, respectively. Artificial intelligence, including machine learning, is a developing field that has had a positive impact on drug discovery.
    Deep reinforcement learning is a subset of machine learning in which artificial neural networks are combined with reinforcement-learning architectures. This method has been used successfully to develop novel de novo drug design approaches by utilizing a variety of artificial networks such as recurrent neural networks, convolutional neural networks, generative adversarial networks, and autoencoders.
    Other than AI there are other novels software-based methods such as molecular modeling, structure-based drug design, structure-based virtual screening, ligand interaction, and molecular dynamics that are regarded as powerful tools for studying drug pharmacokinetic and pharmacodynamic properties, as well as the structural activity relationship between a ligand and its target.


    *Artificial intelligence *Ligand targets drug discovery. *De novo drug design *Machine learning *Computational methods

    Manuscript Submission information

    Manuscripts should be submitted online by registering and logging in to this link. Once you are registered, click here to go to the submission form. Manuscripts can be submitted until the deadline. All submissions that pass pre-check are peer-reviewed.
    Accepted papers will be published continuously in the journal (as soon as accepted) and will be listed together on the special issue website. Research articles, review articles as well as short communications are invited. For planned papers, a title and short abstract (about 100 words) can be sent on email address:[email protected] for announcement on this website.
    Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-blind peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page.

    Published articles

    "This special issue is now open for submission."