Have artificial neural networks met expectations in drug discovery as implemented in QSAR framework?

Predicting the Absorption Potential of Chemical Compounds Through a Deep Learning Approach

(2018) Moonshik Shin et al.   IEEE-ACM Transactions on Computational Biology and Bioinformatics

Diverse classification models for anti-hepatitis C virus activity of thiourea derivatives

(2015) Naveen Khatri et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Graph-Based Processing of Macromolecular Information

(2015) Cristian R. Munteanu et al.   Current Bioinformatics

Prediction of the potency of mammalian cyclooxygenase inhibitors with ensemble proteochemometric modeling

(2015) Isidro Cortes-Ciriano et al.   Journal of Cheminformatics

In Silico Machine Learning Methods in Drug Development

(2014) Dimitar Dobchev et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

ANN Multiscale Model of Anti-HIV Drugs Activity vs AIDS Prevalence in the US at County Level Based on Information Indices of Molecular Graphs and Social Networks

(2014) Humberto González-Díaz et al.   Journal of Chemical Information and Modeling

Mechanistic interpretation of artificial neural network-based QSAR model for prediction of cathepsin K inhibition potency

(2014) Jure Borišek et al.   JOURNAL OF CHEMOMETRICS

Chemoinformatics for rational discovery of safe antibacterial drugs: Simultaneous predictions of biological activity against streptococci and toxicological profiles in laboratory animals

(2013) Alejandro Speck-Planche et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Artificial neural network modeling of antimycobacterial chemical space to introduce efficient descriptors employed for drug design

(2013) Soroush Sardari et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Subchronic Oral and Inhalation Toxicities: a Challenging Attempt for Modeling and Prediction

(2013) Dimaitar A. Dobchev et al.   Molecular Informatics

Discovery of 2-(2-Benzoxazoyl amino)-4-Aryl-5-Cyanopyrimidine as Negative Allosteric Modulators (NAMs) of Metabotropic Glutamate Receptor 5 (mGlu5): From an Artificial Neural Network Virtual Screen to an In Vivo Tool Compound

(2012) Ralf Mueller et al.   ChemMedChem

Prediction of aqueous solubility of drug-like molecules using a novel algorithm for automatic adjustment of relative importance of descriptors implemented in counter-propagation artificial neural networks

(2012) Slavica Erić et al.   INTERNATIONAL JOURNAL OF PHARMACEUTICS

Molecular Fingerprint-Based Artificial Neural Networks QSAR for Ligand Biological Activity Predictions

(2012) Kyaw-Zeyar Myint et al.   MOLECULAR PHARMACEUTICS

Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection

(2011) Probir Kumar Ojha et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction

(2010) Alan R. Katritzky et al.   CHEMICAL REVIEWS

Prediction of Cell-Penetrating Peptides Using Artificial Neural Networks

(2010) Dimitar A. Dobchev et al.   Current Computer-Aided Drug Design

Exploiting PubChem for virtual screening

(2010) Xiang-Qun Sean Xie   Expert Opinion on Drug Discovery

Artificial neural network-based drug design for diabetes mellitus using flavonoids

(2010) Jagdish C. Patra et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Best Practices for QSAR Model Development, Validation, and Exploitation

(2010) Alexander Tropsha   Molecular Informatics

Novel trends in high-throughput screening

(2009) Lorenz M Mayr et al.   CURRENT OPINION IN PHARMACOLOGY

Rational drug design

(2009) Soma Mandal et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Artificial neural networks-based approach to design ARIs using QSAR for diabetes mellitus

(2009) Jagdish C. Patra et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Clustering: A neural network approach

(2009) K.-L. Du   NEURAL NETWORKS

An Optimal Self-Pruning Neural Network and Nonlinear Descriptor Selection in QSAR

(2009) Frank R. Burden et al.   Quantitative structure-activity relationships & combinatorial science

Identification of gene transcript signatures predictive for estrogen receptor and lymph node status using a stepwise forward selection artificial neural network modelling approach

(2008) Lee J. Lancashire et al.   ARTIFICIAL INTELLIGENCE IN MEDICINE

Synthesis and bioassay of improved mosquito repellents predicted from chemical structure

(2008) A. R. Katritzky et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

QSAR study of neuraminidase inhibitors based on heuristic method and radial basis function network

(2007) W.J. Lü et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY