Predicting ADME: Role of Computer-Aided Drug Design

Dear Colleagues,

Predicting and optimizing the Absorption, Distribution, Metabolism, and Excretion (ADME) properties of potential drug candidates is crucial in the field of drug discovery and development. Computer-Aided Drug Design (CADD) has emerged as a powerful tool in this area, as it leverages computational modeling, bioinformatics, and chemoinformatics approaches to assess and predict ADME parameters.

In this Special Issue, we invite authors to submit research and review articles that shed light on the role of CADD in predicting ADME properties, as well as address the current challenges and future research prospects in the field. We desire studies that explore the application of CADD techniques to evaluating drug solubility, permeability, bioavailability, metabolic stability, and toxicity.

We aim to foster a better understanding of how CADD can contribute to accelerating the drug discovery process by guiding the selection and optimization of potential drug candidates, thus reducing the costs and time required to complete drug experiments. Furthermore, we encourage submissions that explore the integration of CADD techniques into experimental approaches, leading to more comprehensive ADME predictions and facilitating the translation of computational findings into successful drug development programs.

Dr. Stefania Olla
Guest Editor

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. Pharmaceutics is an international peer-reviewed open access monthly 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 2900 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.

• ADME-Tox
• in silico approaches
• pharmacokinetics
• Computer-Aided Drug Design (CADD)
• drug candidates
• QSAR models