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 ...

Crest 3D WhiteStrips are easy to use and effective.

While 3D object representations are being revived in the context of multi-view object class detection and scene understanding, they have not yet attained wide-spread use in fine-grained categorization ...

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% ...

Super Meat Boy 3D Announced for an Early 2026 Release Was that a warp pipe? Super Meat Boy returned in all his gory glory at today's Xbox Games Showcase, in the unveiling of Super Meat Boy 3D.

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。

NVIDIA Kaolin library provides a PyTorch API for working with a variety of 3D representations and includes a growing collection of GPU-optimized operations such as modular differentiable rendering, ...

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 ...

混元 3D 2.1 模型适配于消费级显卡，在个人电脑也能“跑”，还在 Github 等开源地址提供了详细部署和使用教程，帮企业、中小团队及个人开发者轻松上手。

Monolithic 3D integration technology has emerged as an alternative candidate to conventional transistor scaling. Unlike conventional processes where multiple metal layers are fabricated above a single ...