相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。De novo generation of hit-like molecules from gene expression signatures using artificial intelligence
Oscar Mendez-Lucio et al.
NATURE COMMUNICATIONS (2020)
A Computational Framework for Genome-wide Characterization of the Human Disease Landscape
Young-suk Lee et al.
CELL SYSTEMS (2019)
Non-invasive delivery strategies for biologics
Aaron C. Anselmo et al.
NATURE REVIEWS DRUG DISCOVERY (2019)
Open Targets Platform: new developments and updates two years on
Denise Carvalho-Silva et al.
NUCLEIC ACIDS RESEARCH (2019)
Predicted Biological Activity of Purchasable Chemical Space
John J. Irwin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2018)
The Reactome Pathway Knowledgebase
Antonio Fabregat et al.
NUCLEIC ACIDS RESEARCH (2018)
DrugBank 5.0: a major update to the DrugBank database for 2018
David S. Wishart et al.
NUCLEIC ACIDS RESEARCH (2018)
Apigenin enhances the antitumor effects of cetuximab in nasopharyngeal carcinoma by inhibiting EGFR signaling
Wen-Jian Hu et al.
BIOMEDICINE & PHARMACOTHERAPY (2018)
Glimmers in illuminating the druggable genome
Griffin Rodgers et al.
NATURE REVIEWS DRUG DISCOVERY (2018)
Deep learning improves prediction of drug-drug and drug-food interactions
Jae Yong Ryu et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2018)
MoleculeNet: a benchmark for molecular machine learning
Zhenqin Wu et al.
CHEMICAL SCIENCE (2018)
MOSAIC: a chemical-genetic interaction data repository and web resource for exploring chemical modes of action
Justin Nelson et al.
BIOINFORMATICS (2018)
A scored human protein-protein interaction network to catalyze genomic interpretation
Taibo Li et al.
NATURE METHODS (2017)
Pharos: Collating protein information to shed light on the druggable genome
Dac-Trung Nguyen et al.
NUCLEIC ACIDS RESEARCH (2017)
The ChEMBL database in 2017
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2017)
DisGeNET: a comprehensive platform integrating information on human disease-associated genes and variants
Janet Pinero et al.
NUCLEIC ACIDS RESEARCH (2017)
PubChem BioAssay: 2017 update
Yanli Wang et al.
NUCLEIC ACIDS RESEARCH (2017)
PANTHER version 11: expanded annotation data from Gene Ontology and Reactome pathways, and data analysis tool enhancements
Huaiyu Mi et al.
NUCLEIC ACIDS RESEARCH (2017)
The STRING database in 2017: quality-controlled protein-protein association networks, made broadly accessible
Damian Szklarczyk et al.
NUCLEIC ACIDS RESEARCH (2017)
The Comparative Toxicogenomics Database: update 2017
Allan Peter Davis et al.
NUCLEIC ACIDS RESEARCH (2017)
A Simple Representation of Three-Dimensional Molecular Structure
Seth D. Axen et al.
JOURNAL OF MEDICINAL CHEMISTRY (2017)
The Drug Repurposing Hub: a next-generation drug library and information resource
Steven M. Corsello et al.
NATURE MEDICINE (2017)
Classification and analysis of a large collection of in vivo bioassay descriptions
Magdalena Zwierzyna et al.
PLOS COMPUTATIONAL BIOLOGY (2017)
Representing high throughput expression profiles via perturbation barcodes reveals compound targets
Tracey M. Filzen et al.
PLOS COMPUTATIONAL BIOLOGY (2017)
A standard database for drug repositioning
Adam S. Brown et al.
SCIENTIFIC DATA (2017)
Accelerated Hierarchical Density Based Clustering
Leland McInnes et al.
2017 17TH IEEE INTERNATIONAL CONFERENCE ON DATA MINING WORKSHOPS (ICDMW 2017) (2017)
A Next Generation Connectivity Map: L1000 Platform and the First 1,000,000 Profiles
Aravind Subramanian et al.
CELL (2017)
EGFR-targeted therapies in the post-genomic era
Mary Jue Xu et al.
CANCER AND METASTASIS REVIEWS (2017)
SAMHD1 is active in cycling cells permissive to HIV-1 infection
Roger Badia et al.
ANTIVIRAL RESEARCH (2017)
ChEBI in 2016: Improved services and an expanding collection of metabolites
Janna Hastings et al.
NUCLEIC ACIDS RESEARCH (2016)
KEGG as a reference resource for gene and protein annotation
Minoru Kanehisa et al.
NUCLEIC ACIDS RESEARCH (2016)
BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology
Michael K. Gilson et al.
NUCLEIC ACIDS RESEARCH (2016)
The SIDER database of drugs and side effects
Michael Kuhn et al.
NUCLEIC ACIDS RESEARCH (2016)
A Landscape of Pharmacogenomic Interactions in Cancer
Francesco Iorio et al.
CELL (2016)
Natural Products as Sources of New Drugs from 1981 to 2014
David J. Newman et al.
JOURNAL OF NATURAL PRODUCTS (2016)
NCI-60 Cell Line Screening: A Radical Departure in Its Time
Bruce A. Chabner
JNCI-JOURNAL OF THE NATIONAL CANCER INSTITUTE (2016)
Counting on natural products for drug design
Tiago Rodrigues et al.
NATURE CHEMISTRY (2016)
The harmonizome: a collection of processed datasets gathered to serve and mine knowledge about genes and proteins
Andrew D. Rouillard et al.
DATABASE-THE JOURNAL OF BIOLOGICAL DATABASES AND CURATION (2016)
NCI-60 Cell Line Screening: A Radical Departure in Its Time
Bruce A. Chabner
JNCI-JOURNAL OF THE NATIONAL CANCER INSTITUTE (2016)
GluN2D-Containing N-methyl-D-Aspartate Receptors Mediate Synaptic Transmission in Hippocampal Interneurons and Regulate Interneuron Activity
Riley E. Perszyk et al.
MOLECULAR PHARMACOLOGY (2016)
The Chemical Space Project
Jean-Louis Reymond
ACCOUNTS OF CHEMICAL RESEARCH (2015)
ZINC 15-Ligand Discovery for Everyone
Teague Sterling et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2015)
Activity, assay and target data curation and quality in the ChEMBL database
George Papadatos et al.
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2015)
Harnessing Connectivity in a Large-Scale Small-Molecule Sensitivity Dataset
Brinton Seashore-Ludlow et al.
CANCER DISCOVERY (2015)
Large-Scale Chemical Similarity Networks for Target Profiling of Compounds Identified in Cell-Based Chemical Screens
Yu-Chen Lo et al.
PLOS COMPUTATIONAL BIOLOGY (2015)
MEK and PI3K inhibition in solid tumors: rationale and evidence to date
E. Jokinen et al.
THERAPEUTIC ADVANCES IN MEDICAL ONCOLOGY (2015)
Pan-cancer network analysis identifies combinations of rare somatic mutations across pathways and protein complexes
Mark D. M. Leiserson et al.
NATURE GENETICS (2015)
Similarity network fusion for aggregating data types on a genomic scale
Bo Wang et al.
NATURE METHODS (2014)
Toward performance-diverse small-molecule libraries for cell-based phenotypic screening using multiplexed high-dimensional profiling
Mathias J. Wawer et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2014)
A chemo-centric view of human health and disease
Miquel Duran-Frigola et al.
NATURE COMMUNICATIONS (2014)
ECOD: An Evolutionary Classification of Protein Domains
Hua Cheng et al.
PLOS COMPUTATIONAL BIOLOGY (2014)
An Interactive Resource to Identify Cancer Genetic and Lineage Dependencies Targeted by Small Molecules
Amrita Basu et al.
CELL (2013)
Analysis of Chemical and Biological Features Yields Mechanistic Insights into Drug Side Effects
Miquel Duran-Frigola et al.
CHEMISTRY & BIOLOGY (2013)
Systematic identification of proteins that elicit drug side effects
Michael Kuhn et al.
MOLECULAR SYSTEMS BIOLOGY (2013)
A community-driven global reconstruction of human metabolism
Ines Thiele et al.
NATURE BIOTECHNOLOGY (2013)
Interactome3D: adding structural details to protein networks
Roberto Mosca et al.
NATURE METHODS (2013)
Rethinking Molecular Similarity: Comparing Compounds on the Basis of Biological Activity
Faula M. Petrone et al.
ACS CHEMICAL BIOLOGY (2012)
Open PHACTS: semantic interoperability for drug discovery
Antony J. Williams et al.
DRUG DISCOVERY TODAY (2012)
The Cancer Cell Line Encyclopedia enables predictive modelling of anticancer drug sensitivity
Jordi Barretina et al.
NATURE (2012)
Quantifying the chemical beauty of drugs
G. Richard Bickerton et al.
NATURE CHEMISTRY (2012)
WikiPathways: building research communities on biological pathways
Thomas Kelder et al.
NUCLEIC ACIDS RESEARCH (2012)
The Genetics of Alzheimer Disease
Rudolph E. Tanzi
COLD SPRING HARBOR PERSPECTIVES IN MEDICINE (2012)
Global Analysis of Small Molecule Binding to Related Protein Targets
Felix A. Kruger et al.
PLOS COMPUTATIONAL BIOLOGY (2012)
Chapter 3: Small Molecules and Disease
David S. Wishart
PLOS COMPUTATIONAL BIOLOGY (2012)
Apigenin induces apoptosis and impairs head and neck carcinomas EGFR/ErbB2 signaling
Laura Masuelli et al.
FRONTIERS IN BIOSCIENCE-LANDMARK (2011)
Multiple imputation by chained equations: what is it and how does it work?
Melissa J. Azur et al.
INTERNATIONAL JOURNAL OF METHODS IN PSYCHIATRIC RESEARCH (2011)
Therapeutic targeting of the IL-12/23 pathways: generation and characterization of ustekinumab
Jacqueline M. Benson et al.
NATURE BIOTECHNOLOGY (2011)
MetaPhOrs: orthology and paralogy predictions from multiple phylogenetic evidence using a consistency-based confidence score
Leszek P. Pryszcz et al.
NUCLEIC ACIDS RESEARCH (2011)
Pathway Commons, a web resource for biological pathway data
Ethan G. Cerami et al.
NUCLEIC ACIDS RESEARCH (2011)
A Similarity Measure for Indefinite Rankings
William Webber et al.
ACM TRANSACTIONS ON INFORMATION SYSTEMS (2010)
Privileged scaffolds for library design and drug discovery
Matthew E. Welsch et al.
CURRENT OPINION IN CHEMICAL BIOLOGY (2010)
Analysis of Food and Drug Administration-Approved Anticancer Agents in the NCI60 Panel of Human Tumor Cell Lines
Susan L. Holbeck et al.
MOLECULAR CANCER THERAPEUTICS (2010)
Discovery of drug mode of action and drug repositioning from transcriptional responses
Francesco Iorio et al.
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA (2010)
NetPath: a public resource of curated signal transduction pathways
Kumaran Kandasamy et al.
GENOME BIOLOGY (2010)
Genome-wide association study identifies variants at CLU and PICALM associated with Alzheimer's disease
Denise Harold et al.
NATURE GENETICS (2009)
Inhibition of Hsp90 down-regulates mutant epidermal growth factor receptor (EGFR) expression and sensitizes EGFR mutant tumors to paclitaxel
Ayana Sawai et al.
CANCER RESEARCH (2008)
Drug target identification using side-effect similarity
Monica Campillos et al.
SCIENCE (2008)
Modulation of CLA, IL-12R, CD40L, and IL-2Rα expression and inhibition of IL-12- and IL-23-induced cytokine secretion by CNTO 1275
Manjula Reddy et al.
CELLULAR IMMUNOLOGY (2007)
Absolute enrichment: gene set enrichment analysis for homeostatic systems
Vishal Saxena et al.
NUCLEIC ACIDS RESEARCH (2006)
The connectivity map: Using gene-expression signatures to connect small molecules, genes, and disease
Justin Lamb et al.
SCIENCE (2006)
ZINC - A free database of commercially available compounds for virtual screening
JJ Irwin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2005)
Hit and lead generation:: Beyond high-throughput screening
KH Bleicher et al.
NATURE REVIEWS DRUG DISCOVERY (2003)
Reoptimization of MDL keys for use in drug discovery
JL Durant et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2002)
Sequential treatment of SH-SY5Y cells with retinoic acid and brain-derived neurotrophic factor gives rise to fully differentiated, neurotrophic factor-dependent, human neuron-like cells
M Encinas et al.
JOURNAL OF NEUROCHEMISTRY (2000)
分享论文
