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LaPro-DTA: Latent Dual-View Drug Representations and Salient Protein Feature Extraction for Generalizable Drug--Target Affinity Prediction

Zihan Dun, Liuyi Xu, An-Yang Lu, Shuang Li, Yining Qian · Mar 16, 2026 · Citations: 0

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How to use this page

Low trust

Use this as background context only. Do not make protocol decisions from this page alone.

Best use

Background context only

What to verify

Validate the evaluation procedure and quality controls in the full paper before operational use.

Evidence quality

Low

Derived from extracted protocol signals and abstract evidence.

Abstract

Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios (unseen drugs/targets/pairs), primarily driven by overfitting to training instances and information loss from irrelevant target sequences. In this paper, we propose LaPro-DTA, a framework designed to achieve robust and generalizable DTA prediction. To tackle overfitting, we devise a latent dual-view drug representation mechanism. It synergizes an instance-level view to capture fine-grained substructures with stochastic perturbation and a distribution-level view to distill generalized chemical scaffolds via semantic remapping, thereby enforcing the model to learn transferable structural rules rather than memorizing specific samples. To mitigate information loss, we introduce a salient protein feature extraction strategy using pattern-aware top-$k$ pooling, which effectively filters background noise and isolates high-response bioactive regions. Furthermore, a cross-view multi-head attention mechanism fuses these purified features to model comprehensive interactions. Extensive experiments on benchmark datasets demonstrate that LaPro-DTA significantly outperforms state-of-the-art methods, achieving an 8\% MSE reduction on the Davis dataset in the challenging unseen-drug setting, while offering interpretable insights into binding mechanisms.

Abstract-only analysis — low confidence

All signals on this page are inferred from the abstract only and may be inaccurate. Do not use this page as a primary protocol reference.

  • This paper looks adjacent to evaluation work, but not like a strong protocol reference.
  • The available metadata is too thin to trust this as a primary source.
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Should You Rely On This Paper?

This paper is adjacent to HFEPX scope and is best used for background context, not as a primary protocol reference.

Best use

Background context only

Use if you need

A secondary eval reference to pair with stronger protocol papers.

Main weakness

This paper looks adjacent to evaluation work, but not like a strong protocol reference.

Trust level

Low

Usefulness score

0/100 • Low

Treat as adjacent context, not a core eval-method reference.

Human Feedback Signal

Not explicit in abstract metadata

Evaluation Signal

Detected

Usefulness for eval research

Adjacent candidate

Extraction confidence 35%

If you are doing eval pipeline work, start here:

Human Eval Hub LLM-as-Judge Hub Pairwise Preference Hub Tool-Use Eval Hub

What We Could Verify

These are the protocol signals we could actually recover from the available paper metadata. Use them to decide whether this paper is worth deeper reading.

Human Feedback Types

missing

None explicit

No explicit feedback protocol extracted.

"Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios (unseen drugs/targets/pairs), primarily driven by overfitting to training instances and information loss from irrelevant target sequences."

Evaluation Modes

partial

Automatic Metrics

Includes extracted eval setup.

"Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios (unseen drugs/targets/pairs), primarily driven by overfitting to training instances and information loss from irrelevant target sequences."

Quality Controls

missing

Not reported

No explicit QC controls found.

"Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios (unseen drugs/targets/pairs), primarily driven by overfitting to training instances and information loss from irrelevant target sequences."

Benchmarks / Datasets

missing

Not extracted

No benchmark anchors detected.

"Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios (unseen drugs/targets/pairs), primarily driven by overfitting to training instances and information loss from irrelevant target sequences."

Reported Metrics

partial

Mse

Useful for evaluation criteria comparison.

"Extensive experiments on benchmark datasets demonstrate that LaPro-DTA significantly outperforms state-of-the-art methods, achieving an 8\% MSE reduction on the Davis dataset in the challenging unseen-drug setting, while offering interpretable insights into binding mechanisms."

Human Feedback Details

  • Uses human feedback: No
  • Feedback types: None
  • Rater population: Not reported
  • Expertise required: General

Evaluation Details

  • Evaluation modes: Automatic Metrics
  • Agentic eval: None
  • Quality controls: Not reported
  • Evidence quality: Low
  • Use this page as: Background context only

Protocol And Measurement Signals

Benchmarks / Datasets

No benchmark or dataset names were extracted from the available abstract.

Reported Metrics

mse

Research Brief

Metadata summary

Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios (unseen drugs/targets/pairs), primarily driven by overfitting to training instances and information loss from irrelevant target sequences.

Based on abstract + metadata only. Check the source paper before making high-confidence protocol decisions.

Key Takeaways

  • Drug--target affinity prediction is pivotal for accelerating drug discovery, yet existing methods suffer from significant performance degradation in realistic cold-start scenarios (unseen drugs/targets/pairs), primarily driven by overfitting to training instances and information loss from irrelevant target sequences.
  • In this paper, we propose LaPro-DTA, a framework designed to achieve robust and generalizable DTA prediction.
  • To tackle overfitting, we devise a latent dual-view drug representation mechanism.

Researcher Actions

  • Compare this paper against nearby papers in the same arXiv category before using it for protocol decisions.
  • Check the full text for explicit evaluation design choices (raters, protocol, and metrics).
  • Use related-paper links to find stronger protocol-specific references.

Caveats

  • Generated from abstract + metadata only; no PDF parsing.
  • Signals below are heuristic and may miss details reported outside the abstract.

Recommended Queries

Research Summary

Contribution Summary

  • In this paper, we propose LaPro-DTA, a framework designed to achieve robust and generalizable DTA prediction.
  • To mitigate information loss, we introduce a salient protein feature extraction strategy using pattern-aware top-k pooling, which effectively filters background noise and isolates high-response bioactive regions.
  • Extensive experiments on benchmark datasets demonstrate that LaPro-DTA significantly outperforms state-of-the-art methods, achieving an 8\% MSE reduction on the Davis dataset in the challenging unseen-drug setting, while offering…

Why It Matters For Eval

  • Extensive experiments on benchmark datasets demonstrate that LaPro-DTA significantly outperforms state-of-the-art methods, achieving an 8\% MSE reduction on the Davis dataset in the challenging unseen-drug setting, while offering…

Researcher Checklist

  • Gap: Human feedback protocol is explicit

    No explicit human feedback protocol detected.

  • Pass: Evaluation mode is explicit

    Detected: Automatic Metrics

  • Gap: Quality control reporting appears

    No calibration/adjudication/IAA control explicitly detected.

  • Gap: Benchmark or dataset anchors are present

    No benchmark/dataset anchor extracted from abstract.

  • Pass: Metric reporting is present

    Detected: mse

Related Papers

Papers are ranked by protocol overlap, extraction signal alignment, and semantic proximity.

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