Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models

scientific article published on 18 December 2020

Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models is …
instance of (P31):
scholarly articleQ13442814

External links are
P356DOI10.3389/FPHAR.2020.565644
P932PMC publication ID7775580
P698PubMed publication ID33390943

P2093author name stringAlex Zhavoronkov
Alán Aspuru-Guzik
Hongming Chen
Rauf Kurbanov
Vladimir Aladinskiy
Sergey Nikolenko
Simon Johansson
Alexander Zhebrak
Artur Kadurin
Daniil Polykovskiy
Benjamin Sanchez-Lengeling
Stanislav Belyaev
Aleksey Artamonov
Mark Veselov
Oktai Tatanov
Sergey Golovanov
P2860cites workVirtual Compound Libraries in Computer-Assisted Drug DiscoveryQ63953796
GuacaMol: Benchmarking Models for de Novo Molecular DesignQ92470366
DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical StructuresQ93847384
Randomized SMILES strings improve the quality of molecular generative modelsQ94204628
A de novo molecular generation method using latent vector based generative adversarial networkQ94215940
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
Molecular de-novo design through deep reinforcement learningQ42766915
De Novo Design of Bioactive Small Molecules by Artificial Intelligence.Q47741086
Generating Focused Molecule Libraries for Drug Discovery with Recurrent Neural NetworksQ48024105
Application of Generative Autoencoder in de Novo Molecular DesignQ48127458
P275copyright licenseCreative Commons Attribution 4.0 InternationalQ20007257
P6216copyright statuscopyrightedQ50423863
P304page(s)565644
P577publication date2020-12-18
P1433published inFrontiers in PharmacologyQ2681208
P1476titleMolecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models
P478volume11

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cites work (P2860)
Q115031291Artificial intelligence for antiviral drug discovery in low resourced settings: A perspective
Q114677105Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study
Q118248060Deep generative models for peptide design
Q111521194Multi-constraint molecular generation based on conditional transformer, knowledge distillation and reinforcement learning

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