Article

Deep Molecular Generative Model Based on Variant Transformer for Antiviral Drug Design

2023-02-06

Abstract excerpt

Herein, we present a novel data-driven self-supervised pretraining generative model called “TransAntivirus” to make zero-shot select-and-replace edits and converting organic molecules into the desired properties for design of antiviral candidate analogs. TransAntivirus is composed of two components. The first one is IUPAC predictor, which operates directly on IUPAC names, a representation of molecules close to nat...

Topics

Open a Topic to create a Post that cites this publication.

Identifiers and source

Literature Corpus work: 3da88309-89f0-5233-af51-e342f039c9e9
DOI: 10.2139/ssrn.4345811

Open publication

Related research

Semantic proximity does not establish scientific evidence.

Click a neighbor to travelStep 1 · 12 closest

Deep Molecular Generative Model Based on Variant Transformer for Antiviral Drug DesignDOI 10.2139/ssrn.4345811Read

Evaluation of Reinforcement Learning in Transformer-based Molecular DesignSemantic proximity Read

ChemBERTaDDI: Transformer Driven Molecular Structures and Clinical Data for predicting drug-drug interactionsSemantic proximity Read

SynPROTAC: synthesizable PROTACs design through synthesis constrained generative model and reinforcement learningSemantic proximity Read

PanGu Drug Model: Learn a Molecule Like a HumanSemantic proximity Read

DrugHIVE: Target-specific spatial drug design and optimization with a hierarchical generative modelSemantic proximity Read

Target-aware Molecule Generation for Drug Design Using a Chemical Language Model <sup>*</sup>Semantic proximity Read

De Novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors Using ULMFitSemantic proximity Read

Network-principled deep generative models for designing drug combinations as graph setsSemantic proximity Read

Generative AI for Drug Discovery and Protein Design: The Next Frontier in AI-Driven Molecular ScienceSemantic proximity Read

Protein design and variant prediction using autoregressive generative models.Semantic proximity Read

Peptide generative design with weakly order-dependent autoregressive language model and lifelong learningSemantic proximity Read

ScaffoldGVAE: Scaffold Generation and Hopping of Drug Molecules via a Variational Autoencoder Based on Multi-View Graph Neural NetworksSemantic proximity Read