Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource Articles Article Faculty Publications -Articles Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource DeepBBBP: High Accuracy Blood-brain-barrier Permeability Prediction with a Mixed Deep Learning Model Subject The topic of the resource Blood-brain-barrier; Convolutional Neural Network; Deep Learning; Drug design; Mol2vec; Multi-layer Perceptron Description An account of the resource Blood-brain-barrier permeability (BBBP) is an important property that is used to establish the drug-likeness of a molecule, as it establishes whether the molecule can cross the BBB when desired. It also eliminates those molecules which are not supposed to cross the barrier, as doing so would lead to toxicity. BBBP can be measured in vivo, in vitro or in silico. With the advent and subsequent rise of in silico methods for virtual drug screening, quite a bit of work has been done to predict this feature using statistical machine learning (ML) and deep learning (DL) based methods. In this work a mixed DL-based model, consisting of a Multi-layer Perceptron (MLP) and Convolutional Neural Network layers, has been paired with Mol2vec. Mol2vec is a convenient and unsupervised machine learning technique which produces high-dimensional vector representations of molecules and its molecular substructures. These succinct vector representations are utilized as inputs to the mixed DL model that is used for BBBP predictions. Several well-known benchmarks incorporating BBBP data have been used for supervised training and prediction by our mixed DL model which demonstrates superior results when compared to existing ML and DL techniques used for predicting BBBP. 2022 Wiley-VCH GmbH. Creator An entity primarily responsible for making the resource Cherian Parakkal S.; Datta R.; Das D. Source A related resource from which the described resource is derived Molecular Informatics, Vol-41, No. 10 Publisher An entity responsible for making the resource available John Wiley and Sons Inc Date A point or period of time associated with an event in the lifecycle of the resource 2022-01-01 Identifier An unambiguous reference to the resource within a given context <a href="https://doi.org/10.1002/minf.202100315" target="_blank" rel="noreferrer noopener">https://doi.org/10.1002/minf.202100315</a> <br /><br /><a href="https://www.scopus.com/inward/record.uri?eid=2-s2.0-85128694675&amp;doi=10.1002%2Fminf.202100315&amp;partnerID=40&amp;md5=d2bacbbdbcc98a8b447e9b3b22881d7c" target="_blank" rel="noreferrer noopener">https://www.scopus.com/inward/record.uri?eid=2-s2.0-85128694675&amp;doi=10.1002%2fminf.202100315&amp;partnerID=40&amp;md5=d2bacbbdbcc98a8b447e9b3b22881d7c</a> Rights Information about rights held in and over the resource Restricted Access Relation A related resource ISSN: 18681743; PubMed ID: 35393777; CODEN: MIONB Format The file format, physical medium, or dimensions of the resource Online Language A language of the resource English Type The nature or genre of the resource Article Coverage The spatial or temporal topic of the resource, the spatial applicability of the resource, or the jurisdiction under which the resource is relevant Cherian Parakkal S., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Datta R., Department of Chemistry, CHRIST (Deemed to be University), Hosur Road, Bengaluru, 560029, India; Das D., Intel, Bengaluru, 560103, India