# Inductive-Associative Meta-learning Pipeline with Human Cognitive Patterns for Unseen Drug-Target Interaction Prediction

arXiv: https://arxiv.org/abs/2501.16391 · HTML: https://mlsanity.com/paper/2501.16391/

## Key facts

- Cited by 1 papers in the map (data through 14 Oct 2026).
- Builds on 15 of its 61 references that are in the map.
- First posted on arXiv 26 Jan 2025.

## Builds on (most cited first, 15 of 15)

- [Semi-Supervised Classification with Graph Convolutional Networks](https://mlsanity.com/paper/1609.02907/) (2016)
- [Emerging Properties in Self-Supervised Vision Transformers](https://mlsanity.com/paper/2104.14294/) (2021)
- [Model-Agnostic Meta-Learning for Fast Adaptation of Deep Networks](https://mlsanity.com/paper/1703.03400/) (2017)
- [Prototypical Networks for Few-shot Learning](https://mlsanity.com/paper/1703.05175/) (2017)
- [How transferable are features in deep neural networks?](https://mlsanity.com/paper/1411.1792/) (2014)
- [Meta-Learning with Differentiable Convex Optimization](https://mlsanity.com/paper/1904.03758/) (2019)
- [Rapid Learning or Feature Reuse? Towards Understanding the Effectiveness of MAML](https://mlsanity.com/paper/1909.09157/) (2019)
- [How to train your MAML](https://mlsanity.com/paper/1810.09502/) (2018)
- [Transformer Quality in Linear Time](https://mlsanity.com/paper/2202.10447/) (2022)
- [EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction](https://mlsanity.com/paper/2202.05146/) (2022)
- [learn2learn: A Library for Meta-Learning Research](https://mlsanity.com/paper/2008.12284/) (2020)
- [MolTrans: Molecular Interaction Transformer for Drug Target Interaction Prediction](https://mlsanity.com/paper/2004.11424/) (2020)
- [Development and evaluation of a deep learning model for protein-ligand binding affinity prediction](https://mlsanity.com/paper/1712.07042/) (2017)
- [DeepConv-DTI: Prediction of drug-target interactions via deep learning with convolution on protein sequences](https://mlsanity.com/paper/1811.02114/) (2018)
- [Interpretable bilinear attention network with domain adaptation improves drug-target prediction](https://mlsanity.com/paper/2208.02194/) (2022)

## Built on by (most cited first, 1 of 1)

- [Empowering Chemical Structures with Biological Insights for Scalable Phenotypic Virtual Screening](https://mlsanity.com/paper/2603.15006/) (2026)

## Abstract (arXiv)

Significant differences in protein structures hinder the generalization of existing drug-target interaction (DTI) models, which often rely heavily on pre-learned binding principles or detailed annotations. In contrast, BioBridge designs an Inductive-Associative pipeline inspired by the workflow of scientists who base their accumulated expertise on drawing insights into novel drug-target pairs from weakly related references. BioBridge predicts novel drug-target interactions using limited sequence data, incorporating multi-level encoders with adversarial training to accumulate transferable binding principles. On these principles basis, BioBridge employs a dynamic prototype meta-learning framework to associate insights from weakly related annotations, enabling robust predictions for previously unseen drug-target pairs. Extensive experiments demonstrate that BioBridge surpasses existing models, especially for unseen proteins. Notably, when only homologous protein binding data is available, BioBridge proves effective for virtual screening of the epidermal growth factor receptor and adenosine receptor, underscoring its potential in drug discovery.