drug discovery | BestHub

IT Architects Alliance

Jan 12, 2025 · Fundamentals

Quantum Computing: Principles, Applications, and Impact on IT Architecture

The article explains how quantum computing, with its qubit superposition and exponential speed‑up, is reshaping IT hardware and software, enabling breakthroughs in drug discovery, finance, AI, and secure communications while facing commercialization challenges such as high costs and talent gaps.

Artificial IntelligenceIT architectureQuantum Computing

0 likes · 12 min read

Quantum Computing: Principles, Applications, and Impact on IT Architecture

Python Programming Learning Circle

Dec 19, 2024 · Artificial Intelligence

DeepPurpose: An AI Toolkit for Accelerating COVID‑19 Drug Discovery

DeepPurpose, a PyTorch‑based AI toolkit developed by Harvard researchers, provides COVID‑19 bioassay data and 56 cutting‑edge models that enable rapid drug‑target affinity prediction, virtual screening, and drug repurposing with just a few lines of code, dramatically shortening new‑drug development cycles.

AICOVID-19DeepPurpose

0 likes · 7 min read

DeepPurpose: An AI Toolkit for Accelerating COVID‑19 Drug Discovery

Baidu Tech Salon

Aug 30, 2024 · Artificial Intelligence

AI4R&D: AI-Driven R&D New Paradigm

The AI4R&D report released on July 25 2024 outlines how artificial‑intelligence technologies are reshaping scientific research and industrial development by boosting computing power, data utilization and toolchains, delivering breakthroughs in drug discovery, materials and simulation, and mapping an emerging ecosystem that promises faster translation of innovation into practical applications.

AI ecosystemAI4R&DIndustrial R&D

0 likes · 5 min read

ZhongAn Tech Team

May 13, 2024 · Artificial Intelligence

Weekly Tech Overview: AI Advances, Mobile Game Store, and Industry Insights

This weekly tech roundup covers Microsoft’s upcoming mobile game store, Alibaba Cloud’s Tongyi Qianwen 2.5 AI model, Google DeepMind’s AlphaFold 3 for drug discovery, TikTok’s AI‑content labeling, 神州信息’s AI‑native product, Apple’s on‑device AI chips, expert views on scaling laws, and news on Fei‑Fei Li’s startup, Apple’s China tax, and Buffett’s Apple stake reduction.

AIAI infrastructureCloud Computing

0 likes · 7 min read

Weekly Tech Overview: AI Advances, Mobile Game Store, and Industry Insights

php中文网 Courses

Dec 21, 2023 · Artificial Intelligence

Bill Gates Highlights AI’s Potential to Transform Healthcare, Education, and Global Health in 2024 Outlook

In his 2024 outlook, Bill Gates emphasizes that artificial intelligence will be a pivotal force this year, driving breakthroughs in drug discovery, combating antibiotic resistance, personalizing education, improving maternal health, and expanding access to HIV risk assessment and medical information for underserved populations.

AIGlobal HealthHealthcare

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Bill Gates Highlights AI’s Potential to Transform Healthcare, Education, and Global Health in 2024 Outlook

php中文网 Courses

Nov 15, 2023 · Artificial Intelligence

AI-Discovered Drug for Idiopathic Pulmonary Fibrosis Enters Late-Stage Clinical Trials

Insilico Medicine, leveraging artificial intelligence to identify a novel target and molecule for idiopathic pulmonary fibrosis, has advanced its AI-discovered drug into late-stage clinical trials, marking the first fully AI-generated pre-clinical candidate and drawing significant attention from the pharmaceutical industry.

Artificial IntelligenceClinical TrialsIdiopathic Pulmonary Fibrosis

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AI-Discovered Drug for Idiopathic Pulmonary Fibrosis Enters Late-Stage Clinical Trials

DataFunSummit

Sep 9, 2023 · Artificial Intelligence

Evolution of AIGC Technology and Its Applications in Life Sciences

This article reviews the development of AIGC and generative AI technologies—including image, text, and molecular generation—explains key model advances such as diffusion and large language models, discusses their impact on drug discovery, and outlines current challenges, opportunities, and future directions.

AI in Life SciencesAIGCGenerative AI

0 likes · 14 min read

Evolution of AIGC Technology and Its Applications in Life Sciences

DataFunTalk

Oct 28, 2022 · Artificial Intelligence

Geometric Graph Neural Networks for Drug Discovery: 3D Structure‑Based Binding Affinity Prediction and Molecular Property Learning

This article presents a comprehensive overview of using geometric graph neural networks on the Baidu PaddleHelix platform to address challenges in drug discovery, including 3D‑structure‑aware protein‑ligand binding affinity prediction, molecular property prediction, and self‑supervised pre‑training, with experimental results showing significant improvements over existing baselines.

Graph Neural Networksdrug discoverygeometric deep learning

0 likes · 16 min read

Geometric Graph Neural Networks for Drug Discovery: 3D Structure‑Based Binding Affinity Prediction and Molecular Property Learning

DataFunSummit

Feb 22, 2022 · Artificial Intelligence

Graph Pretraining Techniques for Molecular Representation and Their Applications in Drug Discovery

This article reviews the motivation, methods, and results of graph-based self‑supervised pretraining for molecular data, introduces the ChemRL‑GEM model that incorporates 3‑D structural information, and demonstrates its superior performance on ADMET, affinity prediction, and benchmark competitions using the PaddleHelix platform.

AIGraph Neural Networkschemistry

0 likes · 18 min read

Graph Pretraining Techniques for Molecular Representation and Their Applications in Drug Discovery

DataFunTalk

Dec 21, 2021 · Artificial Intelligence

Personalized Federated Learning and AI for Drug Discovery: Challenges, Applications, and Cloud Solutions

This talk by Huawei senior engineer Xu Chi explores the challenges of drug screening, AI-driven drug discovery practices, and how personalized federated learning combined with Huawei Cloud's high‑performance computing accelerates pharmaceutical research, including case studies, platform services, and collaborative efforts.

AICloud ComputingFederated Learning

0 likes · 11 min read

Personalized Federated Learning and AI for Drug Discovery: Challenges, Applications, and Cloud Solutions

DataFunSummit

Dec 19, 2021 · Artificial Intelligence

Personalized Federated Learning and AI for Accelerating Drug Discovery

The talk by Huawei senior engineer Xu Chi explores the challenges of drug screening, recent AI-driven advances in pharmaceutical research, and how personalized federated learning on Huawei Cloud accelerates drug discovery, including case studies, platform architecture, and large-scale virtual screening services.

AICloud ComputingFederated Learning

0 likes · 10 min read

Personalized Federated Learning and AI for Accelerating Drug Discovery

DataFunTalk

Nov 26, 2021 · Artificial Intelligence

Graph Neural Networks for Molecular Networks and Drug Discovery

This presentation by Stanford PhD student Huang Kexin explores the challenges and innovations of applying graph machine learning to molecular and biomedical networks, introducing specialized GNN architectures, actionable hypothesis generation, domain‑scientist interfaces, few‑shot learning, and the Therapeutics Data Commons for accelerating drug discovery.

Graph Neural NetworksMachine Learningbioinformatics

0 likes · 9 min read

Graph Neural Networks for Molecular Networks and Drug Discovery

DataFunSummit

Apr 11, 2021 · Artificial Intelligence

Applications of Graph Neural Networks in Biochemistry and Drug Discovery

Graph Neural Networks (GNNs) are increasingly applied in biochemistry, enabling molecular property prediction, chemical reaction forecasting, molecular graph generation, and drug–protein interaction modeling, with various generative models such as GraphRNN, MolGAN, VAE, and flow-based approaches enhancing drug discovery pipelines.

AIGraph Neural Networkschemical reaction prediction

0 likes · 17 min read

Applications of Graph Neural Networks in Biochemistry and Drug Discovery

Tencent Advertising Technology

Apr 17, 2018 · Artificial Intelligence

The Role of Algorithms in Solving Social Problems and Advancing Technology

This article explores how algorithms, particularly AI and genetic algorithms, are applied across diverse fields such as advertising, social issue resolution, drug discovery, and public welfare, highlighting their transformative impact on technology and society.

AlgorithmsArtificial IntelligenceSocial Impact

0 likes · 3 min read