Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently

scientific article published on 01 December 2020

Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently is …
instance of (P31):
review articleQ7318358
scholarly articleQ13442814

External links are
P356DOI10.1042/BCJ20200781
P932PMC publication ID7733676
P698PubMed publication ID33290527

P2093author name stringDouglas B Kell
Neil Swainston
Soumitra Samanta
P2860cites workUMAP: Uniform Manifold Approximation and ProjectionQ107272666
Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributionsQ27702095
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rulesQ28090714
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Molecular de-novo design through deep reinforcement learningQ42766915
Generative Recurrent Networks for De Novo Drug Design.Q45944255
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural NetworksQ48024105
Generative Models for Artificially-intelligent Molecular Design.Q50015629
Deep Learning Invades Drug Design and Synthesis.Q50421517
Planning chemical syntheses with deep neural networks and symbolic AI.Q51095881
Exploring the GDB-13 chemical space using deep generative modelsQ64103575
Deep Reinforcement Learning for Multiparameter Optimization in de novo Drug DesignQ91627808
DeepScaffold: A Comprehensive Tool for Scaffold-Based De Novo Drug Discovery Using Deep LearningQ91753678
Analyzing Learned Molecular Representations for Property PredictionQ92285177
De novo Molecular Design with Generative Long Short-term MemoryQ92294705
Exploring Chemical Space with Machine LearningQ92294719
GuacaMol: Benchmarking Models for de Novo Molecular DesignQ92470366
Randomized SMILES strings improve the quality of molecular generative modelsQ94204628
QSAR without bordersQ94477921
DeepGraphMolGen, a multi-objective, computational strategy for generating molecules with desirable properties: a graph convolution and reinforcement learning approachQ105667104
Visualization of very large high-dimensional data sets as minimum spanning treesQ106856815
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P433issue23
P921main subjectcomputer simulationQ925667
deep learningQ197536
cheminformaticsQ910164
P304page(s)4559-4580
P577publication date2020-12-01
2020-12-11
P1433published inBiochemical JournalQ864221
P1476titleDeep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently
P478volume477

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