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。DrugComb update: a more comprehensive drug sensitivity data repository and analysis portal
Shuyu Zheng et al.
NUCLEIC ACIDS RESEARCH (2021)
De novo generation of hit-like molecules from gene expression signatures using artificial intelligence
Oscar Mendez-Lucio et al.
NATURE COMMUNICATIONS (2020)
TransformerCPI: improving compound-protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments
Lifan Chen et al.
BIOINFORMATICS (2020)
SMILES-based deep generative scaffold decorator for de-novo drug design
Josep Arus-Pous et al.
JOURNAL OF CHEMINFORMATICS (2020)
DeepAffinity: interpretable deep learning of compound-protein affinity through unified recurrent and convolutional neural networks
Mostafa Karimi et al.
BIOINFORMATICS (2019)
DrugComb: an integrative cancer drug combination data portal
Bulat Zagidullin et al.
NUCLEIC ACIDS RESEARCH (2019)
Drug combination sensitivity scoring facilitates the discovery of synergistic and efficacious drug combinations in cancer
Alina Malyutina et al.
PLOS COMPUTATIONAL BIOLOGY (2019)
Metascape provides a biologist-oriented resource for the analysis of systems-level datasets
Yingyao Zhou et al.
NATURE COMMUNICATIONS (2019)
Exploring genetic interaction manifolds constructed from rich single-cell phenotypes
Thomas M. Norman et al.
SCIENCE (2019)
Randomized SMILES strings improve the quality of molecular generative models
Josep Arus-Pous et al.
JOURNAL OF CHEMINFORMATICS (2019)
Deep learning for molecular design-a review of the state of the art
Daniel C. Elton et al.
MOLECULAR SYSTEMS DESIGN & ENGINEERING (2019)
Generative Recurrent Networks for De Novo Drug Design
Anvita Gupta et al.
MOLECULAR INFORMATICS (2018)
Expression Atlas: gene and protein expression across multiple studies and organisms
Irene Papatheodorou et al.
NUCLEIC ACIDS RESEARCH (2018)
Reinforced Adversarial Neural Computer for de Novo Molecular Design
Evgeny Putin et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2018)
Lysine methyltransferase SMYD2 promotes triple negative breast cancer progression
Linda Xiaoyan Li et al.
CELL DEATH & DISEASE (2018)
A recurrent point mutation in PRKCA is a hallmark of chordoid gliomas
Shai Rosenberg et al.
NATURE COMMUNICATIONS (2018)
Deep reinforcement learning for de novo drug design
Mariya Popova et al.
SCIENCE ADVANCES (2018)
Predicting tumor cell line response to drug pairs with deep learning
Fangfang Xia et al.
BMC BIOINFORMATICS (2018)
DeepSynergy: predicting anti-cancer drug synergy with Deep Learning
Kristina Preuer et al.
BIOINFORMATICS (2018)
Opportunities and challenges in phenotypic drug discovery: an industry perspective
John G. Moffat et al.
NATURE REVIEWS DRUG DISCOVERY (2017)
Molecular de-novo design through deep reinforcement learning
Marcus Olivecrona et al.
JOURNAL OF CHEMINFORMATICS (2017)
A Next Generation Connectivity Map: L1000 Platform and the First 1,000,000 Profiles
Aravind Subramanian et al.
CELL (2017)
A systematic analysis of FDA-approved anticancer drugs
Jingchun Sun et al.
BMC SYSTEMS BIOLOGY (2017)
Expression Atlas update-an integrated database of gene and protein expression in humans, animals and plants
Robert Petryszak et al.
NUCLEIC ACIDS RESEARCH (2016)
Intra-tumor heterogeneity of cancer cells and its implications for cancer treatment
Xiao-xiao Sun et al.
ACTA PHARMACOLOGICA SINICA (2015)
High-throughput screening using patient-derived tumor xenografts to predict clinical trial drug response
Hui Gao et al.
NATURE MEDICINE (2015)
ChEMBL web services: streamlining access to drug discovery data and utilities
Mark Davies et al.
NUCLEIC ACIDS RESEARCH (2015)
A comprehensive transcriptional portrait of human cancer cell lines
Christiaan Klijn et al.
NATURE BIOTECHNOLOGY (2015)
Analysis of drug combinations: current methodological landscape
Julie Foucquier et al.
PHARMACOLOGY RESEARCH & PERSPECTIVES (2015)
A community computational challenge to predict the activity of pairs of compounds
Mukesh Bansal et al.
NATURE BIOTECHNOLOGY (2014)
Phenotypic screening in cancer drug discovery - past, present and future
John G. Moffat et al.
NATURE REVIEWS DRUG DISCOVERY (2014)
Quantifying Synergy: A Systematic Review of Mixture Toxicity Studies within Environmental Toxicology
Nina Cedergreen
PLOS ONE (2014)
The landscape of kinase fusions in cancer
Nicolas Stransky et al.
NATURE COMMUNICATIONS (2014)
Lessons Learned in Empirical Scoring with smina from the CSAR 2011 Benchmarking Exercise
David Ryan Koes et al.
JOURNAL OF CHEMICAL INFORMATION AND MODELING (2013)
The 'rule of three' for fragment-based drug discovery: where are we now?
Harren Jhoti et al.
NATURE REVIEWS DRUG DISCOVERY (2013)
Cancer drug resistance: an evolving paradigm
Caitriona Holohan et al.
NATURE REVIEWS CANCER (2013)
The molecular evolution of acquired resistance to targeted EGFR blockade in colorectal cancers
Luis A. Diaz et al.
NATURE (2012)
The Cancer Cell Line Encyclopedia enables predictive modelling of anticancer drug sensitivity
Jordi Barretina et al.
NATURE (2012)
Landscape of transcription in human cells
Sarah Djebali et al.
NATURE (2012)
ChEMBL: a large-scale bioactivity database for drug discovery
Anna Gaulton et al.
NUCLEIC ACIDS RESEARCH (2012)
The RCSB Protein Data Bank: redesigned web site and web services
Peter W. Rose et al.
NUCLEIC ACIDS RESEARCH (2011)
Open Babel: An open chemical toolbox
Noel M. O'Boyle et al.
JOURNAL OF CHEMINFORMATICS (2011)
DCDB: Drug combination database
Yanbin Liu et al.
BIOINFORMATICS (2010)
Drug-target interaction prediction from chemical, genomic and pharmacological data in an integrated framework
Yoshihiro Yamanishi et al.
BIOINFORMATICS (2010)
Network-Based Relating Pharmacological and Genomic Spaces for Drug Target Identification
Shiwen Zhao et al.
PLOS ONE (2010)
Prediction of drug-target interaction networks from the integration of chemical and genomic spaces
Yoshihiro Yamanishi et al.
BIOINFORMATICS (2008)
BindingDB: a web-accessible database of experimentally determined protein-ligand binding affinities
Tiqing Liu et al.
NUCLEIC ACIDS RESEARCH (2007)
Multi-target therapeutics: when the whole is greater than the sum of the parts
Grant R. Zimmermann et al.
DRUG DISCOVERY TODAY (2007)
Theoretical basis, experimental design, and computerized simulation of synergism and antagonism in drug combination studies
Ting-Chao Chou
PHARMACOLOGICAL REVIEWS (2006)
Regularization and variable selection via the elastic net
H Zou et al.
JOURNAL OF THE ROYAL STATISTICAL SOCIETY SERIES B-STATISTICAL METHODOLOGY (2005)
Hit and lead generation:: Beyond high-throughput screening
KH Bleicher et al.
NATURE REVIEWS DRUG DISCOVERY (2003)
Random forest: A classification and regression tool for compound classification and QSAR modeling
V Svetnik et al.
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES (2003)