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PubChem 2023 update

delete2022-10-28
delete1.1K
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OA
AI
S
Sunghwan Kim
J
Jie Chen
T
Tiejun Cheng
A
Asta Gindulytė
J
Jia He
S
Siqian He
Q
Qingliang Li
B
Benjamin A. Shoemaker
P
Paul Thiessen
B
Bo Yu
L
Leonid Zaslavsky
J
Jian Zhang
E
Evan Bolton *
DOI：10.1093/nar/gkac956delete
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摘要

摘要

En 中文
PubChem (https://pubchem.ncbi.nlm.nih.gov) 是一种流行的化学信息资源，可提供广泛的用例。在过去的两年中，PubChem进行了许多更改。来自120多个数据源的数据已添加到PubChem。一些主要亮点包括: 将Google专利数据整合到PubChem中，大大扩展了PubChem专利数据收集的覆盖范围; 创建了细胞系和分类学数据收集，分别为给定的细胞系和分类提供了快速便捷的化学信息；以及生物测定数据模型的更新。此外，新的功能被添加到PubChem编程访问协议，PUG-REST和PUG-View，包括支持给定蛋白质，基因，途径，细胞系和分类单元的以目标为中心的数据下载，以及PUG-REST的 “标准化” 选项，它返回输入化学结构的标准化形式。还对Pub-ChemRDF进行了重大更新。本文概述了这些变化。
Keyword:
SMILES
INFORMATION
ONTOLOGY
INCHI

期刊

Nucleic Acids Research 封面图
Nucleic Acids Research
IF:
13.1
论文数:
3.6W
被引数:
29.0W

机构

N
national institutes of health (nih) - usa
学者数:
10.3W
论文数: 8.2W
被引数: 111
引用论文

引用论文

NCI Thesaurus: A semantic model integrating cancer-related clinical and molecular informationNCI叙词表: 整合癌症相关临床和分子信息的语义模型
errJOURNAL OF BIOMEDICAL INFORMATICS
IF4.5
err2007-02-01
err298
PREAI
errSioutos, Nicholas; de Coronado, Sherri; Haber, Margaret W.; Hartel, Frank W.; Shaiu, Wen-Ling; Wright, Lawrence W.
err分享
err收藏
Gene Ontology: tool for the unification of biology基因本体论: 统一生物学的工具
errNATURE GENETICS
IF31.8
err2000-05-01
err3.4W
errOAAI
errAshburner, M; Ball, CA; Blake, JA; Botstein, D; Butler, H; Cherry, JM; Davis, AP; Dolinski, K; Dwight, SS; Eppig, JT; Harris, MA; Hill, DP; Issel-Tarver, L; Kasarskis, A; Lewis, S; Matese, JC; Richardson, JE; Ringwald, M; Rubin, GM; Sherlock, G
err分享
err收藏
Modeling of Manufacturing Induced Residual Stress in 3D‐Printed Components3D打印组件中制造引起的残余应力的建模
errMacromolecular Symposia
IF0
err2022-06-19
err0
errOAAI
errKevin Mahendrabhai Panchasara; Anantha Narayanan Ramakrishnan; Konrad Mehle; Christopher Ludtka; Stefan Schwan
err分享
err收藏
GenBank
errNUCLEIC ACIDS RESEARCH
IF13.1
err2015-11-20
err1.2K
errOAAI
errClark, Karen; Karsch-Mizrachi, Ilene; Lipman, David J.; Ostell, James; Sayers, Eric W.
err分享
err收藏
LINCS Data Portal 2.0: next generation access point for perturbation-response signaturesLINCS数据门户2.0: 扰动响应签名的下一代接入点
errNUCLEIC ACIDS RESEARCH
IF13.1
err2019-11-08
err112
errOAAI
errStathias, Vasileios; Turner, John; Koleti, Amar; Vidovic, Dusica; Cooper, Daniel; Fazel-Najafabadi, Mehdi; Pilarczyk, Marcin; Terryn, Raymond; Chung, Caty; Umeano, Afoma; Clarke, Daniel J. B.; Lachmann, Alexander; Evangelista, John Erol; Ma'ayan, Avi; Medvedovic, Mario; Schurer, Stephan C.
err分享
err收藏
Amino acid sequence of the α-elicitin secreted by Phytophthora cactorum疫霉分泌的 α-诱导子的氨基酸序列
errPhytochemistry
IF0
err1993-11-01
err0
PREAI
errJean-Claude Huet; Monique Mansion Jean-Claude Pernollet
err分享
err收藏
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules微笑，一种化学语言和信息系统。1.介绍方法和编码规则
errJournal of Chemical Information and Computer Sciences
IF0
err2002-05-01
err0
PREAI
errDavid Weininger
err分享
err收藏
PubChem Substance and Compound databasesPubChem物质和化合物数据库
errNUCLEIC ACIDS RESEARCH
IF13.1
err2015-09-22
err3.6K
errOAAI
errKim, Sunghwan; Thiessen, Paul A.; Bolton, Evan E.; Chen, Jie; Fu, Gang; Gindulyte, Asta; Han, Lianyi; He, Jane; He, Siqian; Shoemaker, Benjamin A.; Wang, Jiyao; Yu, Bo; Zhang, Jian; Bryant, Stephen H.
err分享
err收藏
PubChem BioAssay: 2017 updatePubChem BioAssay: 2017更新
errNUCLEIC ACIDS RESEARCH
IF13.1
err2016-11-29
err416
errOAAI
errWang, Yanli; Bryant, Stephen H.; Cheng, Tiejun; Wang, Jiyao; Gindulyte, Asta; Shoemaker, Benjamin A.; Thiessen, Paul A.; He, Siqian; Zhang, Jian
err分享
err收藏
LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual ScreeningLit-pcba: 用于机器学习和虚拟筛选的无偏数据集
errJOURNAL OF CHEMICAL INFORMATION AND MODELING
IF5.3
err2020-04-13
err127
errOAAI
errTran-Nguyen, Viet-Khoa; Jacquemard, Celien; Rognan, Didier
err分享
err收藏
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