该研究首次将3D-QSAR与机器学习结合应用于ERα配体筛选，突破了传统2D模型的局限性。 MLP模型对分子空间特征的捕捉能力，为EDCs的高通量筛查提供了新范式。

Succinate dehydrogenase (SDH) is an ideal fungicidal target. Here, a three-dimensional quantitative structure–activity relationship (3D-QSAR) was established based on the data of 74 compounds with ...

In this paper, three QSAR methods were employed, viz. comparative molecular field analysis (CoMFA), comparative molecular similarity indices analysis (CoMSIA) and hologram QSAR (HQSAR), to derive ...

Computer-aided molecular modeling was applied to design a series of Spodoptera frugiperda RyR agonists. Comparative molecular field analysis (CoMFA) and comparative molecular similarity indices ...

这项研究采用多尺度计算模拟策略，深入探索了异隐品碱衍生物的抗疟机制。通过分子对接 (molecular docking)技术锁定关键靶标PfDHFR-TS的结合位点，发现该类化合物通过特异性氢键网络与酶活性中心结合。基于49个衍生物的定量构效关系研究 (QSAR)显示，CoMFA模型交叉验证系数q2达0.971，静电场贡献占比62% ...

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In the rapidly evolving world of technology, artificial intelligence (AI) has been a game-changer, especially in the field of 3D object generation. AI-powered 3D object generators have revolutionized ...

Open3D: A Modern Library for 3D Data Processing. Contribute to isl-org/Open3D development by creating an account on GitHub.

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[IROS 2025] Generalizable Humanoid Manipulation with 3D Diffusion Policies. Part 1: Train & Deploy of iDP3 - YanjieZe/Improved-3D-Diffusion-Policy ...

MA 3D Computer Animation is practice-led and explores the theory and practice of digital 3D animation in films, television, games and interactive applications.