Special Issue "Artificial Intelligence and Machine Learning in Drug Development"
Deadline for manuscript submissions: 30 April 2022.
2. CNC - Center for Neuroscience and Cell Biology, University of Coimbra, Coimbra, Portugal
Interests: data science; drug discovery; deep learning; computational chemistry; structural biology; protein–protein complexes; modeling; GPCRs; functional selectivity
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High-throughput screening technologies used in the development of data in genomics, proteomics, and metabolomics continue to produce large amounts of data from different populations, cell types, and diseases. The analysis of such data has produced promising results in genomic biomedicine, but encounters difficulties due to the heterogeneity of disease, with multiple causal pathways leading to similar symptoms but requiring different therapeutic approaches. This is further exacerbated by human biological complexity and genomic variability, which lead to different responses to therapeutic approaches at both the individual and population levels. Molecular profiling is now able to stratify diseases into their distinct molecular subtypes for matching with appropriate drugs, thus beginning to shape a translational systems medicine for better tailored predictive and pharmacotherapeutic guidance. This new research paradigm, powered by state-of-the-art artificial intelligence (AI)/machine learning (ML)-based prediction algorithms, presents great challenges and opportunities for researchers in the field.
This Special Issue welcomes original research, short communications, and review papers. Potential topics include, but are not limited to, the application of AI/ML to: target identification and characterization; protein networks/pathways prediction; mechanism of disease; drug–target complex formation and characterization; drug identification; drug repurposing; generation of novel drug candidates; drug efficacy metrics; and toxicology, biopharmaceutical properties prediction, etc. Wet-lab and clinical-data-based submissions with biomolecular experiments are welcomed.
Dr. Irina Moreira
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 papers will be 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. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.
Please visit the Instructions for Authors page before submitting a manuscript. There is an Article Processing Charge (APC) for publication in this open access journal. For details about the APC please see here. 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.
- artificial intelligence
- big data
- in silico drug design and discovery
- clinical data
- near-real-time prediction algorithms
- personalized medicine