Journal Menu► ▼ Journal Menu
Journal Browser► ▼ Journal Browser
Special Issue "AI in Drug Design"
A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Medicinal Chemistry".
Deadline for manuscript submissions: closed (30 April 2020) | Viewed by 13831
Special Issue Editor
E-Mail Website1 Website2
Interests: structural biology; bioinformatics; personalized drug treatment; artificial intelligence; machine learning (ML); deep learning (DL)
Special Issue Information
Using AI tools in computational drug design has become very popular. Among the reasons for this are the incredible improved computational power and the achievements in the AI technology. Currently, almost all pharmaceutical companies use AI tools for drug design. In the previous era, when AI was not available, the main time-consuming phase of the drug design process consisted in carrying out numerical experiments exploring all possible substitutions in drug-lead candidates. This is why the exploration of the possible variants of drug compounds was limited. The most promising compounds were identified for further study, but this often led to multimillion losses when the selected drugs failed to produce therapeutic effects in high-level clinical trials. I think that the AI approach does not exclude the experimental validation of possible drug candidates. On the opposite, it makes such validation much more valuable, because an AI system can categorize a large set of possible drug-candidate compounds in several classes and suggest a small number of representative drug candidates from these classes for experimental testing. This Special Issue aims to provide a forum for the most interesting findings in the area of AI application to drug design.
Dr. Igor Tsigenly
Manuscript Submission Information
Manuscripts should be submitted online at www.mdpi.com by registering and logging in to this website. 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 to the Editorial Office 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. Molecules is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2300 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.
- structural biology
- computational drug design
- personalized drug treatment
- artificial intelligence
- machine learning (ML)
- deep learning (DL)