Ablation study results on predictor modules.

<div><p>Accurate prediction of molecular properties is a key component of Artificial Intelligence-driven Drug Design (AIDD). Despite significant progress in improving these predictive models, balancing accuracy with computational complexity remains a challenge. Molecular topological and...

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Bibliographic Details
Main Author:	Wei He (131453) (author)
Other Authors:	Xu Tian (179192) (author), Xue Li (285380) (author), Peifu Han (13198115) (author), Shuang Wang (46453) (author), Lin Liu (74495) (author), Tao Song (130854) (author)
Published:	2025
Subjects:	Genetics Space Science Biological Sciences not elsewhere classified Mathematical Sciences not elsewhere classified Information Systems not elsewhere classified unified validation framework two recent state segmented pcqm4mv2 dataset optimizes feature extraction lower computational cost enhance information capture driven drug design despite significant progress demonstrates comparable performance computational complexity remains augmented geometric features reduces model complexity improve model accuracy novel predictive model div >< p improving prediction accuracy balancing accuracy model learning predictive models accurate prediction model ’ trained models source code publicly available performs remarkably molecular properties key component depth analysis chemical interpretability artificial intelligence approach enhances aidd ).
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Ablation study results on predictor modules.

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