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Spectrum of deep learning algorithms in drug discovery
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/2211-5463.12692openalex-snapshot
Multidimensional profiling of drug‐treated cells by Imaging Mass Cytometry
inferredcites →https://doi.org/10.1002/9781444325263openalex-snapshot
Principles and Practice of Pharmaceutical Medicine
inferredcites →https://doi.org/10.1002/9783527806539.ch6aopenalex-snapshot
Drug Discovery: An Overview
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Machine learning in drug discovery and development
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Deep Learning in Drug Discovery
inferredcites →https://doi.org/10.1002/prot.25697openalex-snapshot
Protein tertiary structure modeling driven by deep learning and contact distance prediction in CASP13
inferredcites →https://doi.org/10.1007/7854_2016_36openalex-snapshot
Pharmacokinetic–Pharmacodynamic (PKPD) Analysis with Drug Discrimination
inferredcites →https://doi.org/10.1007/978-1-60761-839-3openalex-snapshot
Chemoinformatics and Computational Chemical Biology
inferredcites →https://doi.org/10.1007/978-3-319-67144-4_14openalex-snapshot
New Therapeutic Uses for Existing Drugs
inferredcites →https://doi.org/10.1007/978-3-319-67180-2_45openalex-snapshot
A Machine Learning Based System for Analgesic Drug Delivery
inferredcites →https://doi.org/10.1007/s10928-017-9562-9openalex-snapshot
gPKPDSim: a SimBiology®-based GUI application for PKPD modeling in drug development
inferredcites →https://doi.org/10.1007/s11427-018-9342-2openalex-snapshot
Artificial intelligence in drug design
inferredcites →https://doi.org/10.1016/b978-0-12-802103-3.00002-xopenalex-snapshot
Drug Discovery and Development
inferredcites →https://doi.org/10.1016/b978-0-12-812364-5.00007-9openalex-snapshot
Prediction of Structure Based on Spectral Data Using Computational Techniques
inferredcites →https://doi.org/10.1016/j.addr.2019.05.001openalex-snapshot
The significance of artificial intelligence in drug delivery system design
inferredcites →https://doi.org/10.1016/j.asoc.2014.09.042openalex-snapshot
Evolutionary algorithms for de novo drug design – A survey
inferredcites →https://doi.org/10.1016/j.bmcl.2018.06.046openalex-snapshot
Recent applications of machine learning in medicinal chemistry
inferredcites →https://doi.org/10.1016/j.celrep.2019.11.017openalex-snapshot
A Deep Learning Framework for Predicting Response to Therapy in Cancer
inferredcites →https://doi.org/10.1016/j.drudis.2014.12.004openalex-snapshot
Active-learning strategies in computer-assisted drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2015.05.001openalex-snapshot
Drug repositioning and repurposing: terminology and definitions in literature
inferredcites →https://doi.org/10.1016/j.drudis.2017.08.010openalex-snapshot
From machine learning to deep learning: progress in machine intelligence for rational drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2018.01.039openalex-snapshot
The rise of deep learning in drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2018.05.010openalex-snapshot
Machine learning in chemoinformatics and drug discovery
inferredcites →https://doi.org/10.1016/j.drudis.2019.02.013openalex-snapshot
The next level in chemical space navigation: going far beyond enumerable compound libraries
inferredcites →https://doi.org/10.1016/j.jbi.2015.06.005openalex-snapshot
DMET-Miner: Efficient discovery of association rules from pharmacogenomic data
inferredcites →https://doi.org/10.1016/j.jmgm.2008.08.004openalex-snapshot
Data mining PubChem using a support vector machine with the Signature molecular descriptor: Classification of factor XIa inhibitors
inferredcites →https://doi.org/10.1016/j.jphs.2017.01.003openalex-snapshot
Machine learning-based prediction of adverse drug effects: An example of seizure-inducing compounds
inferredcites →https://doi.org/10.1016/j.metabol.2017.01.011openalex-snapshot
Artificial intelligence in medicine
inferredcites →https://doi.org/10.1016/j.neucom.2015.08.054openalex-snapshot
Predicting potential side effects of drugs by recommender methods and ensemble learning
inferredcites →https://doi.org/10.1016/j.sbi.2019.03.022openalex-snapshot
Applications of machine learning in GPCR bioactive ligand discovery
inferredcites →https://doi.org/10.1016/j.synbio.2015.12.002openalex-snapshot
The secondary metabolite bioinformatics portal: Computational tools to facilitate synthetic biology of secondary metabolite production
inferredcites →https://doi.org/10.1016/j.ygeno.2018.08.007openalex-snapshot
pLoc_bal-mHum: Predict subcellular localization of human proteins by PseAAC and quasi-balancing training dataset
inferredcites →https://doi.org/10.1016/j.ygeno.2018.09.004openalex-snapshot
Predicting subcellular localization of multi-label proteins by incorporating the sequence features into Chou's PseAAC
inferredcites →https://doi.org/10.1016/s0031-3025(16)39198-xopenalex-snapshot
Advances in Experimental Medicine and Biology
inferredcites →https://doi.org/10.1016/s0168-3659(98)00171-0openalex-snapshot
The application of an artificial neural network and pharmacokinetic simulations in the design of controlled-release dosage forms
inferredcites →https://doi.org/10.1016/s1359-6446(03)02828-9openalex-snapshot
ADME–Tox in drug discovery: integration of experimental and computational technologies
inferredcites →https://doi.org/10.1021/acs.chemrev.8b00728openalex-snapshot
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
inferredcites →https://doi.org/10.1021/acs.jcim.6b00290openalex-snapshot
Computational Modeling of β-Secretase 1 (BACE-1) Inhibitors Using Ligand Based Approaches
inferredcites →https://doi.org/10.1021/acs.jcim.9b00325openalex-snapshot
Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug Design
inferredcites →https://doi.org/10.1021/acs.jproteome.6b00618openalex-snapshot
Deep-Learning-Based Drug–Target Interaction Prediction
inferredcites →https://doi.org/10.1021/acs.molpharmaceut.5b00982openalex-snapshot
Applications of Deep Learning in Biomedicine
inferredcites →https://doi.org/10.1021/acs.molpharmaceut.6b00248openalex-snapshot
Deep Learning Applications for Predicting Pharmacological Properties of Drugs and Drug Repurposing Using Transcriptomic Data
inferredcites →https://doi.org/10.1021/acs.molpharmaceut.7b01137openalex-snapshot
Adversarial Threshold Neural Computer for Molecular de Novo Design
inferredcites →https://doi.org/10.1021/acs.molpharmaceut.7b01144openalex-snapshot
Geometric Deep Learning Autonomously Learns Chemical Features That Outperform Those Engineered by Domain Experts
inferredcites →https://doi.org/10.1021/acs.molpharmaceut.8b00816openalex-snapshot
An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction
inferredcites →https://doi.org/10.1021/acscentsci.7b00572openalex-snapshot
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules
inferredcites →https://doi.org/10.1021/acsmedchemlett.8b00437openalex-snapshot
Transforming Computational Drug Discovery with Machine Learning and AI
inferredcites →https://doi.org/10.1021/ci400090topenalex-snapshot
Prediction of Compounds with Closely Related Activity Profiles Using Weighted Support Vector Machine Linear Combinations
inferredcites →https://doi.org/10.1021/jm010548wopenalex-snapshot
Molecular Docking and High-Throughput Screening for Novel Inhibitors of Protein Tyrosine Phosphatase-1B
inferredcites →https://doi.org/10.1021/jm301210jopenalex-snapshot
Iterative Refinement of a Binding Pocket Model: Active Computational Steering of Lead Optimization
inferredcites →https://doi.org/10.1021/js950433dopenalex-snapshot
Artificial Neural Networks As a Novel Approach to Integrated Pharmacokinetic—Pharmacodynamic Analysis
inferredcites →https://doi.org/10.1038/nrd.2016.244openalex-snapshot
Applications of chemogenomic library screening in drug discovery
inferredcites →https://doi.org/10.1038/nrd2923openalex-snapshot
The 'big pharma' dilemma: develop new drugs or promote existing ones?
inferredcites →https://doi.org/10.1038/s41588-018-0160-6openalex-snapshot
Deep learning sequence-based ab initio prediction of variant effects on expression and disease risk
inferredcites →https://doi.org/10.1038/s41588-018-0295-5openalex-snapshot
A primer on deep learning in genomics
inferredcites →https://doi.org/10.1038/s41598-017-04194-7openalex-snapshot
Basic surface features of nuclear FKBPs facilitate chromatin binding
inferredcites →https://doi.org/10.1038/s41598-017-12048-5openalex-snapshot
Kinase inhibitor screening using artificial neural networks and engineered cardiac biowires
inferredcites →https://doi.org/10.1038/s41598-018-30394-wopenalex-snapshot
PMLPR: A novel method for predicting subcellular localization based on recommender systems
inferredcites →https://doi.org/10.1038/s41598-018-31378-6openalex-snapshot
The aerobic diagenesis of Mesoproterozoic organic matter
inferredcites →https://doi.org/10.1038/s42003-019-0509-0openalex-snapshot
Forecasting cell fate during antibiotic exposure using stochastic gene expression
inferredcites →https://doi.org/10.1039/c7sc02664aopenalex-snapshot
MoleculeNet: a benchmark for molecular machine learning
inferredcites →https://doi.org/10.1039/c8sc03077dopenalex-snapshot
Machine learning of optical properties of materials – predicting spectra from images and images from spectra
inferredcites →https://doi.org/10.1080/17460441.2016.1201262openalex-snapshot
A renaissance of neural networks in drug discovery
inferredcites →https://doi.org/10.1093/bioinformatics/btw486openalex-snapshot
Drug drug interaction extraction from biomedical literature using syntax convolutional neural network
inferredcites →https://doi.org/10.1093/bioinformatics/bty294openalex-snapshot
Modeling polypharmacy side effects with graph convolutional networks
inferredcites →https://doi.org/10.1093/bioinformatics/btz204openalex-snapshot
maTE: discovering expressed interactions between microRNAs and their targets
inferredcites →https://doi.org/10.1093/nar/gkr323openalex-snapshot
NRPSpredictor2—a web server for predicting NRPS adenylation domain specificity
inferredcites →https://doi.org/10.1093/nar/gkx289openalex-snapshot
SeMPI: a genome-based secondary metabolite prediction and identification web server
inferredcites →https://doi.org/10.1093/nar/gkx408openalex-snapshot
RiPPMiner: a bioinformatics resource for deciphering chemical structures of RiPPs based on prediction of cleavage and cross-links
inferredcites →https://doi.org/10.1098/rsif.2017.0387openalex-snapshot
Opportunities and obstacles for deep learning in biology and medicine
inferredcites →https://doi.org/10.1101/315408openalex-snapshot
Drug Target Identification and Virtual Screening in Pursuit of Phytochemical Intervention of Mycobacterium chelonae
inferredcites →https://doi.org/10.1109/access.2018.2886311openalex-snapshot
GrEDeL: A Knowledge Graph Embedding Based Method for Drug Discovery From Biomedical Literatures
inferredcites →https://doi.org/10.1109/idap.2018.8620864openalex-snapshot
Predicting Small Molecule Potency to Inhibit Estrogen Receptors using Machine Learning and Deep Learning Approaches
inferredcites →https://doi.org/10.1109/jbhi.2018.2856535openalex-snapshot
Drug Repositioning for Schizophrenia and Depression/Anxiety Disorders: A Machine Learning Approach Leveraging Expression Data
inferredcites →https://doi.org/10.1145/3194480.3194491openalex-snapshot
Predicting Drug-target Interaction via Wide and Deep Learning
inferredcites →https://doi.org/10.1186/1471-2180-12-169openalex-snapshot
PKMiner: a database for exploring type II polyketide synthases
inferredcites →https://doi.org/10.1186/1758-2946-3-28openalex-snapshot
AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment
inferredcites →https://doi.org/10.1186/1758-2946-3-s1-o4openalex-snapshot
Chemical ontologies: what are they, what are they for and what are the challenges
inferredcites →https://doi.org/10.1186/s12859-019-2811-8openalex-snapshot
Drug repositioning of herbal compounds via a machine-learning approach
inferredcites →https://doi.org/10.1186/s40360-019-0339-1openalex-snapshot
Aromatase inhibitors and risk of cardiovascular events in breast cancer patients: a systematic review and meta-analysis
inferredcites →https://doi.org/10.1208/s12248-017-0166-5openalex-snapshot
Adaptive Optimal Designs for Dose-Finding Studies with Time-to-Event Outcomes
inferredcites →https://doi.org/10.1208/s12248-017-0172-7openalex-snapshot
Target and Tissue Selectivity Prediction by Integrated Mechanistic Pharmacokinetic-Target Binding and Quantitative Structure Activity Modeling
inferredcites →https://doi.org/10.1371/journal.pcbi.1006238openalex-snapshot
Tox_(R)CNN: Deep learning-based nuclei profiling tool for drug toxicity screening
inferredcites →https://doi.org/10.1371/journal.pcbi.1006813openalex-snapshot
Predicting kinase inhibitors using bioactivity matrix derived informer sets
inferredcites →https://doi.org/10.1371/journal.pcbi.1007022openalex-snapshot
DigChem: Identification of disease-gene-chemical relationships from Medline abstracts
inferredcites →https://doi.org/10.1371/journal.pcbi.1007129openalex-snapshot
DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences
inferredcites →https://doi.org/10.1371/journal.pone.0031724openalex-snapshot
A Data-Driven Predictive Approach for Drug Delivery Using Machine Learning Techniques
inferredcites →https://doi.org/10.1371/journal.pone.0219774openalex-snapshot
Predicting drug activity against cancer cells by random forest models based on minimal genomic information and chemical properties
inferredcites →https://doi.org/10.17863/cam.34134openalex-snapshot
Automatic Chemical Design Using a Data-Driven Continuous Representation of Molecules.
inferredcites →https://doi.org/10.2174/092986712801661112openalex-snapshot
Structure and Ligand Based Drug Design Strategies in the Development of Novel 5- LOX Inhibitors
inferredcites →https://doi.org/10.2196/11016openalex-snapshot
Detecting Potential Adverse Drug Reactions Using a Deep Neural Network Model
inferredcites →https://doi.org/10.22002/d1.1103openalex-snapshot
HDF5 file containing JCAP images and absorption spectra for 179072 metal oxides
inferredcites →https://doi.org/10.3389/fchem.2018.00001openalex-snapshot
Luminescence Properties of Self-Aggregating TbIII-DOTA-Functionalized Calix[4]arenes
inferredcites →https://doi.org/10.3389/fchem.2018.00030openalex-snapshot
In Silico Prediction of Chemical Toxicity for Drug Design Using Machine Learning Methods and Structural Alerts
inferredcites →https://doi.org/10.3389/fchem.2018.00162openalex-snapshot
Data Mining and Machine Learning Models for Predicting Drug Likeness and Their Disease or Organ Category
inferredcites →https://doi.org/10.3389/fphar.2018.01526openalex-snapshot
Drug Retention Rate and Predictive Factors of Drug Survival for Interleukin-1 Inhibitors in Systemic Juvenile Idiopathic Arthritis
inferredcites →https://doi.org/10.3390/biom9020043openalex-snapshot
NP-Scout: Machine Learning Approach for the Quantification and Visualization of the Natural Product-Likeness of Small Molecules
inferredcites →https://doi.org/10.3390/ijms19082291openalex-snapshot
Induction of Liver Steatosis in BAP31-Deficient Mice Burdened with Tunicamycin-Induced Endoplasmic Reticulum Stress
inferredcites →https://doi.org/10.3390/ijms19082358openalex-snapshot
Machine Learning Based Toxicity Prediction: From Chemical Structural Description to Transcriptome Analysis
inferredcites →https://doi.org/10.3390/molecules200713384openalex-snapshot
Molecular Docking and Structure-Based Drug Design Strategies
inferredcites →https://doi.org/10.3390/molecules23102520openalex-snapshot
Artificial Intelligence in Drug Design
inferredcites →https://doi.org/10.3390/ph12020082openalex-snapshot
De Novo Design and In Vitro Testing of Antimicrobial Peptides against Gram-Negative Bacteria
inferredcites →https://doi.org/10.4155/fmc-2018-0358openalex-snapshot
Deep Learning for Molecular Generation
inferredcites →https://doi.org/10.4155/fmc-2018-0449openalex-snapshot
From Chemoinformatics to Deep Learning: an Open Road to Drug Discovery
inferredcites →https://doi.org/10.4172/2329-6631.1000e143openalex-snapshot
The Role of Machine Learning in Drug Design and Delivery
inferredcites →https://doi.org/10.4172/2329-6887.1000e173openalex-snapshot
Artificial Intelligence in Drug Discovery and Development
inferredcites →https://doi.org/10.48550/arxiv.1503.01445openalex-snapshot
Toxicity Prediction using Deep Learning
inferredcites →https://doi.org/10.5772/intechopen.74961openalex-snapshot
Integrated Approach to Nature as Source of New Drug Lead
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PKSIIIexplorer: TSVM approach for predicting Type III polyketide synthase proteins
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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