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An Innovative Exploration of Deep Learning for Pesticide and Veterinary Drug Development: A Molecular Generative Model Based on Scaffold Structure Mha-Rnn

https://doi.org/10.2139/ssrn.4881493
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Deep learning approaches for de novo drug design: An overview
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AIScaffold: A Web-Based Tool for Scaffold Diversification Using Deep Learning
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DeepScaffold: A Comprehensive Tool for Scaffold-Based De Novo Drug Discovery Using Deep Learning
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Array programming with NumPy
inferredcites →https://doi.org/10.1039/c9sc04503aopenalex-extracted
Scaffold-based molecular design with a graph generative model
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Sequence-based peptide identification, generation, and property prediction with deep learning: a review
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Pesticide residues in vegetables in four regions of Jilin Province
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Cloud 3D-QSAR: a web tool for the development of quantitative structure–activity relationship models in drug discovery
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Preparation of Simplified Molecular Input Line Entry System Notation Datasets for use in Convolutional Neural Networks
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MoFlow: An Invertible Flow Model for Generating Molecular Graphs
inferredcites →https://doi.org/10.1145/3434306openalex-extracted
Modeling and analyzing evaluation cost of CUDA kernels
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PyTorch Geometric Temporal: Spatiotemporal Signal Processing with Neural Machine Learning Models
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Modeling and Analyzing Evaluation Cost of CUDA Kernels
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Magician’s Corner: 6. TensorFlow and TensorBoard
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Randomized SMILES strings improve the quality of molecular generative models
inferredcites →https://doi.org/10.1186/s13321-019-0404-1openalex-extracted
Mol-CycleGAN: a generative model for molecular optimization
inferredcites →https://doi.org/10.1186/s13321-020-00441-8openalex-extracted
SMILES-based deep generative scaffold decorator for de-novo drug design
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An open source chemical structure curation pipeline using RDKit
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Molecular representations in AI-driven drug discovery: a review and practical guide
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Optimization of binding affinities in chemical space with generative pre-trained transformer and deep reinforcement learning
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Forecasting stock prices with long-short term memory neural network based on attention mechanism
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Dynamical Variational Autoencoders: A Comprehensive Review
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SMILES-Based Deep Generative Scaffold Decorator for De-Novo Drug Design
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Comparison of Descriptor- and Fingerprint Sets in Machine Learning Models for ADME-Tox Targets
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A Paper-Based Colorimetric Aptasensor for the Detection of Gentamicin
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Deep Learning in Virtual Screening: Recent Applications and Developments
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Comprehensive Survey of Recent Drug Discovery Using Deep Learning
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GraphNVP: An Invertible Flow Model for Generating Molecular Graphs
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ControlVAE: Controllable Variational Autoencoder
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Spherical Message Passing for 3D Graph Networks
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Toxicity Detection in Drug Candidates using Simplified Molecular-Input Line-Entry System
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Python: The Most Advanced Programming Language for Computer Science Applications
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