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我们评估了基于分子描述符的五种机器学习算法 [随机森林 (RF),支持 向量回归 (SVR),深度学习模型 (DNN),梯度提升树 (GBM),Adaboost 提升树 (ADA) 以及基于图的三种图神经网络 [信息传递神经网络 (D-MPNN), Attentive FP 模型, 图卷 积神经网络 GCN] 来解决化合物毒性预测的问题。使用超级学习器(Super learner)方 法搭建了三层的 Stacking 集成模型。考虑位于活性悬崖 (ACs) 中的化合物,基于分子描 述符和目标特征,给出了表征模型适用域 AD 的方法。
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.