• Home
  • Search
  • MolBioART: Molecular Biological ART for Drug Discovery
  • https://doi.org/10.1109/sisimpact67725.2025.11439317Copy DOI Icon

MolBioART: Molecular Biological ART for Drug Discovery

  • Nov 28, 2025
  • Sourav Singh Sehgal +3 more
Show More
  • Abstract
  • Literature Map
  • References
  • Similar Papers
Abstract

This work presents a hybrid framework combining Adaptive Resonance Theory (ART) clustering with deep neural network–based molecular restoration for efficient, target-specific drug optimization. Drug–protein pairs are first encoded into vector representations and clustered using ART to form interpretable prototype classes. For a new protein target, the nearest ART prototype serves as an initial candidate. A Protein-Guided Drug Restoration (PGDR) module then refines these candidates by learning to reconstruct optimal drug vectors from perturbed, protein-conditioned inputs. The restored molecules are further optimized in latent space under efficacy and pharmacological constraints. Experiments on benchmark DTI datasets show that the framework enhances interpretability and candidate quality, providing a scalable and biologically grounded approach to drug repurposing and de novo design.

Similar Papers
  • Conference Article
  • Citations11

An Enhanced ART2 Neural Network for Clustering Analysis

  • Jan 01, 2008
  • Jianhong Luo +1
  • Research Article
  • Citations18

Photometric clustering of regenerated plants of gladiolus by neural networks and its biological validation

  • Jul 31, 2007
  • Computers and Electronics in Agriculture
  • V.S.S Prasad +1
  • Conference Article

Usage of Simplified Fuzzy ARTMAP for improvement of classification performances

  • Nov 24, 2013
  • Emina Aličković +1
  • Conference Article
  • Citations6

Dual Vigilance Hypersphere Adaptive Resonance Theory

  • Dec 01, 2019
  • Islam Elnabarawy +2
  • Research Article
  • Citations26

An efficient approach for electric load forecasting using distributed ART (adaptive resonance theory) & HS-ARTMAP (Hyper-spherical ARTMAP network) neural network

  • Dec 24, 2010
  • Energy
  • Yuan Cai +3
  • Conference Article
  • Citations21

A GPU based Parallel Hierarchical Fuzzy ART clustering

  • Jul 01, 2011
  • Sejun Kim +1
  • Research Article
  • Citations1

Accentuation as a Mechanism of Visual Illusions: Insights from Adaptive Resonance Theory (ART)

  • Feb 25, 2025
  • Information
  • Baingio Pinna +2
  • Book Chapter
  • Citations1

Distributed Prediction and Hierarchical Knowledge Discovery by ARTMAP Neural Networks

  • Jan 01, 2003
  • Gail A Carpenter
  • Conference Article
  • Citations10

A Fuzzy ART versus Hybrid NN-HMM methods for lithology identification in the Triasic province

  • Oct 16, 2006
  • S Chikhi
  • Conference Article
  • Citations7

ART FCMAC: a memory efficient neural network for robotic pose estimation

  • Jul 16, 2003
  • C.S Langley +1
  • Research Article
  • Citations1325

The ART of adaptive pattern recognition by a self-organizing neural network

  • Mar 01, 1988
  • Computer
  • G.A Carpenter +1
  • Research Article

Discrete neural network ART using a Hamming distance

  • Jul 26, 2016
  • Bulletin of the National Technical University "KhPI". A series of "Information and Modeling"
  • Valerii Dmitrienko +3
  • Research Article

Mapping adaptive resonance theory onto ring and mesh architectures

  • Apr 01, 1999
  • Neurocomputing
  • L.M Patnaik +1
  • Conference Article
  • Citations9

Evaluating quality of text clustering with ART1

  • Jul 20, 2003
  • L Massey
  • Conference Article
  • Citations6

Adaptive preprocessing for on-line learning with adaptive resonance theory (ART) networks

  • Aug 31, 1995
  • H Ruda +1
Cactus Communications logo

Copyright 2026 Cactus Communications. All rights reserved.