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Updated: May 17, 2026

Computational Prediction of Amino Acid Preferences of Potentially Multispecific Peptide-Binding Domains Involved in Protein-Protein Interactions
Published on: January 26, 2024
PaDEL-DDPredictor: open-source software for PD-PK-T prediction
Yuye He1, Chin Yee Liew, Nitin Sharma
1Department of Pharmacy, Pharmaceutical Data Exploration Laboratory, National University of Singapore, Block S4, 18 Science Drive 4, Singapore 117543, Singapore.
Abstract:
ADMET (absorption, distribution, metabolism, excretion, and toxicity)-related failure of drug candidates is a major issue for the pharmaceutical industry today. Prediction of PD-PK-T properties using in silico tools has become very important in pharmaceutical research to reduce cost and enhance efficiency. PaDEL-DDPredictor is an in silico tool for rapid prediction of PD-PK-T properties of compounds from their chemical structures. It is free and open-source software that, has both graphical user interface and command line interface, can work on all major platforms (Windows, Linux, and MacOS) and supports more than 90 different molecular file formats. The software can be downloaded from http://padel.nus.edu.sg/software/padelddpredictor.
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