Yafeng Deng

tsinghua university

H指数:26

被引数:2,641

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NMRMind: A Transformer-Based Model Enabling the Elucidation from Multidimensional NMR to Structures

NMRMind：一种基于Transformer的模型，实现从多维NMR到结构的阐释

Analytical Chemistry

IF6.7

2025-10-100

PRE

RSGPT: a generative transformer model for retrosynthesis planning pre-trained on ten billion datapoints

RSGPT：一种基于十亿级数据预训练的用于逆合成规划的可生成Transformer模型

Nature Communications

IF15.7

2025-07-310

OAAI

A Knowledge-Guided Graph Learning Approach Bridging Phenotype- and Target-Based Drug Discovery

一种知识引导的图学习方法，连接表型-和靶点-导向的药物发现

ADVANCED SCIENCE

IF14.1

2025-03-060

OAAI

Syn-MolOpt: a synthesis planning-driven molecular optimization method using data-derived functional reaction templates

JOURNAL OF CHEMINFORMATICS

IF5.7

2025-03-020

OAAI

Molecular mechanism of pancreatic ductal adenocarcinoma: The heterogeneity of cancer-associated fibroblasts and key signaling pathways

胰腺导管腺癌的分子机制：癌症相关成纤维细胞的异质性和关键信号通路

WORLD JOURNAL OF CLINICAL ONCOLOGY

IF3.2

2025-02-242

PRE

Bidirectional Chemical Intelligent Net: A unified deep learning–based framework for predicting chemical reaction

双向化学智能网络：一种基于深度学习的统一框架，用于预测化学反应

Chinese Chemical Letters

IF8.9

2025-02-190

PRE

ClickGen: Directed exploration of synthesizable chemical space via modular reactions and reinforcement learning

NATURE COMMUNICATIONS

IF15.7

2024-11-220

OAAI

Leveraging language model for advanced multiproperty molecular optimization via prompt engineering

通过即时工程利用语言模型进行高级多属性分子优化

NATURE MACHINE INTELLIGENCE

IF23.9

2024-10-210

PRE

PROTAC-DB 3.0: an updated database of PROTACs with extended pharmacokinetic parameters

Protac-db 3.0: 具有扩展药代动力学参数的PROTACs更新数据库

NUCLEIC ACIDS RESEARCH

IF13.1

2024-09-032

OAAI

Multi-modal deep learning enables efficient and accurate annotation of enzymatic active sites

NATURE COMMUNICATIONS

IF15.7

2024-08-271

OAAI

DrugFlow: An AI-Driven One-Stop Platform for Innovative Drug Discovery

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-06-266

PRE

Deep-learning-based prediction framework for protein-peptide interactions with structure generation pipeline

基于深度学习的具有结构生成管道的蛋白质-肽相互作用预测框架

CELL REPORTS PHYSICAL SCIENCE

IF7.3

2024-06-011

Cross-Modal Retrieval Between 13C NMR Spectra and Structures Based on Focused Libraries

ANALYTICAL CHEMISTRY

IF6.7

2024-04-022

PRE

Genetic Algorithm-Based Receptor Ligand: A Genetic Algorithm-Guided Generative Model to Boost the Novelty and Drug-Likeness of Molecules in a Sampling Chemical Space

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-02-014

PRE

OptADMET: a web-based tool for substructure modifications to improve ADMET properties of lead compounds

NATURE PROTOCOLS

IF16

2024-01-237

PRE

Enhancing Generic Reaction Yield Prediction through Reaction Condition-Based Contrastive Learning

RESEARCH

IF10.7

2024-01-122

OAAI

Unlocking comprehensive molecular design across all scenarios with large language model and unordered chemical language

CHEMICAL SCIENCE

IF7.4

2024-01-010

OAAI

CarsiDock: a deep learning paradigm for accurate protein-ligand docking and screening based on large-scale pre-training

CHEMICAL SCIENCE

IF7.4

2024-01-019

OAAI

From Black Boxes to Actionable Insights: A Perspective on Explainable Artificial Intelligence for Scientific Discovery

从黑匣子到可操作的见解: 科学发现的可解释人工智能视角

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-12-118

PRE

CODD-Pred: A Web Server for Efficient Target Identification and Bioactivity Prediction of Small Molecules

Codd-pred: 一种用于小分子有效靶标识别和生物活性预测的Web服务器

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-10-112

PRE

Yafeng Deng

个人简介

教育背景

工作经历

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