Cover Image

Pesti-Gen: Unleashing a Generative Molecule Approach for Toxicity Aware Pesticide Design

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Kim, Taehan, Seo, Wonduk
Format:	Preprint
Published:	2025
Subjects:	Machine Learning Artificial Intelligence Biomolecules Molecular Networks
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

PRING: Rethinking Protein-Protein Interaction Prediction from Pairs to Graphs
by: Zheng, Xinzhe, et al.
Published: (2025)

Reading the Cell, Designing the Cure: Perturbation-Conditioned Molecular Diffusion for Function-Oriented Drug Design
by: Xu, Ziyu, et al.
Published: (2026)

CADGL: Context-Aware Deep Graph Learning for Predicting Drug-Drug Interactions
by: Wasi, Azmine Toushik, et al.
Published: (2024)

Investigating Knowledge Distillation Through Neural Networks for Protein Binding Affinity Prediction
by: Abbasi, Wajid Arshad, et al.
Published: (2026)

DeepAutoPIN: An automorphism orbits based deep neural network for characterizing the organizational diversity of protein interactomes across the tree of life
by: Singh, Vikram, et al.
Published: (2022)

GFlowNets for Learning Better Drug-Drug Interaction Representations
by: Wasi, Azmine Toushik
Published: (2025)

Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry
by: Wang, Zeyu, et al.
Published: (2024)

ProLLM: Protein Chain-of-Thoughts Enhanced LLM for Protein-Protein Interaction Prediction
by: Jin, Mingyu, et al.
Published: (2024)

When Does Context Help? A Systematic Study of Target-Conditional Molecular Property Prediction
by: Cheng, Bryan, et al.
Published: (2026)

DeepRetro: Retrosynthetic Pathway Discovery using Iterative LLM Reasoning
by: Sathyanarayana, Shreyas Vinaya, et al.
Published: (2025)

Graph Representation Learning Strategies for Omics Data: A Case Study on Parkinson's Disease
by: de Lope, Elisa Gómez, et al.
Published: (2024)

Repurformer: Transformers for Repurposing-Aware Molecule Generation
by: Lee, Changhun, et al.
Published: (2024)

TAGMol: Target-Aware Gradient-guided Molecule Generation
by: Dorna, Vineeth, et al.
Published: (2024)

A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
by: Jang, Hyosoon, et al.
Published: (2026)

UniGEM: A Unified Approach to Generation and Property Prediction for Molecules
by: Feng, Shikun, et al.
Published: (2024)

A Survey of Generative AI for de novo Drug Design: New Frontiers in Molecule and Protein Generation
by: Tang, Xiangru, et al.
Published: (2024)

Bridging Quantum and Classical Computing in Drug Design: Architecture Principles for Improved Molecule Generation
by: Smith, Andrew, et al.
Published: (2025)

Design of DNA Strand Displacement Reactions
by: Jurinović, Križan, et al.
Published: (2025)

Unraveling the Potential of Diffusion Models in Small Molecule Generation
by: Zhang, Peining, et al.
Published: (2025)

Open-Source Molecular Processing Pipeline for Generating Molecules
by: Shreyas, V, et al.
Published: (2024)

ControllableGPT: A Ground-Up Designed Controllable GPT for Molecule Optimization
by: Liu, Xuefeng, et al.
Published: (2025)

Graph Representation Learning in Biomedicine
by: Li, Michelle M., et al.
Published: (2021)

Learning to Align Molecules and Proteins: A Geometry-Aware Approach to Binding Affinity
by: Refahi, Mohammadsaleh, et al.
Published: (2025)

Geometric-Facilitated Denoising Diffusion Model for 3D Molecule Generation
by: Xu, Can, et al.
Published: (2024)

Auxiliary Discrminator Sequence Generative Adversarial Networks (ADSeqGAN) for Few Sample Molecule Generation
by: Tang, Haocheng, et al.
Published: (2025)

ProCaliper: functional and structural analysis, visualization, and annotation of proteins
by: Rozum, Jordan C., et al.
Published: (2025)

SAE-RNA: A Sparse Autoencoder Model for Interpreting RNA Language Model Representations
by: Kim, Taehan, et al.
Published: (2025)

Phenotypic Profile-Informed Generation of Drug-Like Molecules via Dual-Channel Variational Autoencoders
by: Liu, Hui, et al.
Published: (2025)

t-SMILES: A Scalable Fragment-based Molecular Representation Framework for De Novo Molecule Generation
by: Wu, Juan-Ni, et al.
Published: (2023)

Relief of EGFR/FOS-downregulated miR-103a by loganin alleviates NF-kappaB-triggered inflammation and gut barrier disruption in colitis
by: Li, Yan, et al.
Published: (2025)

Applications of Modular Co-Design for De Novo 3D Molecule Generation
by: Reidenbach, Danny, et al.
Published: (2025)

RTMol: Rethinking Molecule-text Alignment in a Round-trip View
by: Chen, Letian, et al.
Published: (2025)

Variant effects on protein-protein interactions: methods, models and diseases
by: Larsen-Ledet, Sven, et al.
Published: (2025)

The Protective Effects of the Ethyl Acetate Part of Er Miao San on Adjuvant Arthritis Rats by Regulating the Function of Bone Marrow-Derived Dendritic Cells
by: Ding, Jie-Min, et al.
Published: (2025)

Multi-variable control to mitigate loads in CRISPRa networks: Extended Version
by: Manoj, Krishna, et al.
Published: (2024)

Competition for binding targets results in paradoxical effects for simultaneous activator and repressor action -- Extended Version
by: Al-Radhawi, M. Ali, et al.
Published: (2024)

Apo2Mol: 3D Molecule Generation via Dynamic Pocket-Aware Diffusion Models
by: Zheng, Xinzhe, et al.
Published: (2025)

TurboHopp: Accelerated Molecule Scaffold Hopping with Consistency Models
by: Yoo, Kiwoong, et al.
Published: (2024)

Contextual Molecule Representation Learning from Chemical Reaction Knowledge
by: Tang, Han, et al.
Published: (2024)

CBGBench: Fill in the Blank of Protein-Molecule Complex Binding Graph
by: Lin, Haitao, et al.
Published: (2024)