Hybrid Network Model for “Deep Learning” of Chemical Data: Application to Antimicrobial Peptides

Development of models for prediction of the antioxidant activity of derivatives of natural compounds

(2015) Rok Martinčič et al.   ANALYTICA CHIMICA ACTA

Learning with hidden variables

(2015) Yasser Roudi et al.   CURRENT OPINION IN NEUROBIOLOGY

Deep Neural Nets as a Method for Quantitative Structure–Activity Relationships

(2015) Junshui Ma et al.   Journal of Chemical Information and Modeling

Deep Learning in Drug Discovery

(2015) Erik Gawehn et al.   Molecular Informatics

Human-level control through deep reinforcement learning

(2015) Volodymyr Mnih et al.   NATURE

Deep learning

(2015) Yann LeCun et al.   NATURE

Chemography of Natural Product Space

(2015) Tomoyuki Miyao et al.   PLANTA MEDICA

Three- and four-class classification models for P-glycoprotein inhibitors using counter-propagation neural networks

(2015) K.-M. Thai et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Contrasting network and modular perspectives on inhibitory control

(2015) Adam Hampshire et al.   TRENDS IN COGNITIVE SCIENCES

Relationship between peptide structure and antimicrobial activity as studied by de novo designed peptides

(2014) Jianbo Sun et al.   BIOCHIMICA ET BIOPHYSICA ACTA-BIOMEMBRANES

Piloting the Membranolytic Activities of Peptides with a Self-organizing Map

(2014) Yen-Chu Lin et al.   CHEMBIOCHEM

Nonlinear Dimensionality Reduction for Visualizing Toxicity Data: Distance-Based Versus Topology-Based Approaches

(2014) Natalia V. Kireeva et al.   ChemMedChem

Exhaustive Proteome Mining for Functional MHC-I Ligands

(2013) Christian P. Koch et al.   ACS Chemical Biology

Generative Topographic Mapping-Based Classification Models and Their Applicability Domain: Application to the Biopharmaceutics Drug Disposition Classification System (BDDCS)

(2013) Héléna A. Gaspar et al.   Journal of Chemical Information and Modeling

Lateral Inhibition Pyramidal Neural Network for Image Classification

(2013) Bruno Jose Torres Fernandes et al.   IEEE Transactions on Cybernetics

Assessment of applicability domain for multivariate counter-propagation artificial neural network predictive models by minimum Euclidean distance space analysis: A case study

(2012) Nikola Minovski et al.   ANALYTICA CHIMICA ACTA

Machine Learning Techniques and Drug Design

(2012) J.C. Gertrudes et al.   CURRENT MEDICINAL CHEMISTRY

Nonlinear dimensionality reduction and mapping of compound libraries for drug discovery

(2012) Michael Reutlinger et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Generative Topographic Mapping (GTM): Universal Tool for Data Visualization, Structure-Activity Modeling and Dataset Comparison

(2012) N. Kireeva et al.   Molecular Informatics

Artificial vision by multi-layered neural networks: Neocognitron and its advances

(2012) Kunihiko Fukushima   NEURAL NETWORKS

The RCSB Protein Data Bank: new resources for research and education

(2012) Peter W. Rose et al.   NUCLEIC ACIDS RESEARCH

Self-organizing molecular fingerprints: a ligand-based view on drug-like chemical space and off-target prediction

(2010) Gisbert Schneider et al.   Future Medicinal Chemistry

Machine Learning in Virtual Screening

(2009) James Melville et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Neural Networks as Valuable Tools To Differentiate between Sesquiterpene Lactones’ Inhibitory Activity on Serotonin Release and on NF-κB

(2008) Steffen Wagner et al.   JOURNAL OF MEDICINAL CHEMISTRY

APD2: the updated antimicrobial peptide database and its application in peptide design

(2008) Guangshun Wang et al.   NUCLEIC ACIDS RESEARCH

Protein secondary structure analyses from circular dichroism spectroscopy: Methods and reference databases

(2007) Lee Whitmore et al.   BIOPOLYMERS