The peptide biological screening represents a difficult task due to the complexity of the amino-acid sequences. One solution is the encoding of the molecular information using complex networks or graphs of the peptides into QSAR-like models in Web tools. Bio-AIMS contains free Web tools on an Artificial Intelligence Model Server in Biosciences: http://bio-aims.udc.es/TargetPred.php. These in silico peptide screening tools are implementing models to predict different protein activities, drug – protein and protein – protein interactions. The inputs are using 3D protein structures or 1D peptide amino acid sequences and the SMILES formulas for drugs, and the classification models are based on Machine Learning techniques. The Web tools are implemented using Python, PHP and XHTML programming languages.
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Bio-AIMS Chemoinformatics Web tools for proteins
Published: 04 December 2015 by MDPI in MOL2NET'15, Conference on Molecular, Biomed., Comput. & Network Science and Engineering, 1st ed. congress CHEMBIO.INFO-01: Cheminfo., Chemom., Comput. Quantum Chem. & Bioinfo. Congress, Cambridge, UK-Chapel Hill and Richmond, USA, 2015
Keywords: molecular information, Machine Learning, protein graphs, Python scripts, QSAR models, Web tools