Research Topic

The Use of Bio/Chemoinformatics Tools in Drug-Formulation to Reach Better Pharmacological Responses

About this Research Topic

Computer-aided drug formulation design using bio/chemoinformatics tools is a rapidly emerging area of pharmaceutical sciences. It is a highly interdisciplinary research area involving the application of computational methods to the design and development of advanced drug delivery systems. Such research is highly collaborative with scientists and engineers who apply this knowledge in the rapid screening and optimization of drug delivery systems, thereby minimizing the cost involved in wet-lab experimentation.

We encourage the submission of articles that cover advances in: molecular modeling (of carriers and/or receptors and membranes); docking of drugs in different carriers; optimizing formulations; the use of machine learning methods; the use of bioinformatic and chemoinformatic tools; the interpretation and prediction of drug-carrier pair behavior and pharmacological responses.

We welcome full and mini-reviews, original research articles, and method articles in regard to:
• Simulating biological barriers to absorption.
• Simulating carriers.
• Selection of optimized drug-carrier pairs.
• Drug targeting using docking experiments.
• Molecular modeling (of carriers and/or receptors and membranes).
• Prediction of drug loading in drug delivery devices.
• Machine learning methods for drug formulation.
• Use of bioinformatic tools for drug formulation.
• Use of chemoinformatic tools for drug formulation.
• Optimization of drug delivery devices to elicit better pharmacological responses


Keywords: Bioinformatics, Chemoinformatics, Formulation, Molecular dynamics, Docking


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

Computer-aided drug formulation design using bio/chemoinformatics tools is a rapidly emerging area of pharmaceutical sciences. It is a highly interdisciplinary research area involving the application of computational methods to the design and development of advanced drug delivery systems. Such research is highly collaborative with scientists and engineers who apply this knowledge in the rapid screening and optimization of drug delivery systems, thereby minimizing the cost involved in wet-lab experimentation.

We encourage the submission of articles that cover advances in: molecular modeling (of carriers and/or receptors and membranes); docking of drugs in different carriers; optimizing formulations; the use of machine learning methods; the use of bioinformatic and chemoinformatic tools; the interpretation and prediction of drug-carrier pair behavior and pharmacological responses.

We welcome full and mini-reviews, original research articles, and method articles in regard to:
• Simulating biological barriers to absorption.
• Simulating carriers.
• Selection of optimized drug-carrier pairs.
• Drug targeting using docking experiments.
• Molecular modeling (of carriers and/or receptors and membranes).
• Prediction of drug loading in drug delivery devices.
• Machine learning methods for drug formulation.
• Use of bioinformatic tools for drug formulation.
• Use of chemoinformatic tools for drug formulation.
• Optimization of drug delivery devices to elicit better pharmacological responses


Keywords: Bioinformatics, Chemoinformatics, Formulation, Molecular dynamics, Docking


Important Note: All contributions to this Research Topic must be within the scope of the section and journal to which they are submitted, as defined in their mission statements. Frontiers reserves the right to guide an out-of-scope manuscript to a more suitable section or journal at any stage of peer review.

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Submission Deadlines

19 January 2020 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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Topic Editors

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Submission Deadlines

19 January 2020 Manuscript

Participating Journals

Manuscripts can be submitted to this Research Topic via the following journals:

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