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A survey of current trends in computational drug repositioning

Briefings in bioinformatics, 2016-01, Vol.17 (1), p.2-12

2016

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Deep Learning Global Glomerulosclerosis in Transplant Kidney Frozen Sections

IEEE transactions on medical imaging, 2018-12, Vol.37 (12), p.2718-2728

2018

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Machine learning liver-injuring drug interactions with non-steroidal anti-inflammatory drugs (NSAIDs) from a retrospective electronic health record (EHR) cohort

PLoS computational biology, 2021-07, Vol.17 (7), p.e1009053

2021

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A simple model predicts UGT-mediated metabolism

Bioinformatics (Oxford, England), 2016-10, Vol.32 (20), p.3183-3189

2016

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Site-Level Bioactivity of Small-Molecules from Deep-Learned Representations of Quantum Chemistry

The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2020-11, Vol.124 (44), p.9194-9202

2020

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Mining small-molecule screens to repurpose drugs

Briefings in bioinformatics, 2011-07, Vol.12 (4), p.327-335

Swamidass, S. Joshua

2011

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Modeling Epoxidation of Drug-like Molecules with a Deep Machine Learning Network

ACS central science, 2015-07, Vol.1 (4), p.168-180

2015

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Lamisil (terbinafine) toxicity: Determining pathways to bioactivation through computational and experimental approaches

Biochemical pharmacology, 2018-10, Vol.156, p.10-21

2018

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Metabolic Forest: Predicting the Diverse Structures of Drug Metabolites

Journal of chemical information and modeling, 2020-10, Vol.60 (10), p.4702-4716

2020

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RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules

Bioinformatics, 2013-02, Vol.29 (4), p.497-498

2013

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Accounting for proximal variants improves neoantigen prediction

Nature genetics, 2019-01, Vol.51 (1), p.175-179

2019

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Editorial: Advancements in computational studies of drug toxicity

Frontiers in pharmacology, 2023, Vol.14, p.1230409-1230409

2023

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A CROC stronger than ROC: measuring, visualizing and optimizing early retrieval

Bioinformatics, 2010-05, Vol.26 (10), p.1348-1356

2010

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Modeling Reactivity to Biological Macromolecules with a Deep Multitask Network

ACS central science, 2016-08, Vol.2 (8), p.529-537

2016

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CYP2C19 and 3A4 Dominate Metabolic Clearance and Bioactivation of Terbinafine Based on Computational and Experimental Approaches

Chemical research in toxicology, 2019-06, Vol.32 (6), p.1151-1164

2019

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XenoSite: Accurately Predicting CYP-Mediated Sites of Metabolism with Neural Networks

Journal of chemical information and modeling, 2013-12, Vol.53 (12), p.3373-3383

2013

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Deep learning quantification of percent steatosis in donor liver biopsy frozen sections

EBioMedicine, 2020-10, Vol.60, p.103029-103029, Article 103029

2020

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Bounds and Algorithms for Fast Exact Searches of Chemical Fingerprints in Linear and Sublinear Time

Journal of chemical information and modeling, 2007-03, Vol.47 (2), p.302-317

2007

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ChemDB: a public database of small molecules and related chemoinformatics resources

Bioinformatics, 2005-11, Vol.21 (22), p.4133-4139

2005

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Inhibition of DNA Methyltransferases Blocks Mutant Huntingtin-Induced Neurotoxicity

Scientific reports, 2016-08, Vol.6 (1), p.31022-31022, Article 31022

2016

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Securely measuring the overlap between private datasets with cryptosets

PloS one, 2015-02, Vol.10 (2), p.e0117898-e0117898

2015

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Mathematical Correction for Fingerprint Similarity Measures to Improve Chemical Retrieval

Journal of chemical information and modeling, 2007-05, Vol.47 (3), p.952-964

2007

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Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity

Bioinformatics, 2005-06, Vol.21 (suppl-1), p.i359-i368

2005

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Scaffold network generator: a tool for mining molecular structures

Bioinformatics, 2013-10, Vol.29 (20), p.2655-2656

2013

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A survey of current trends in computational drug repositioning

Deep Learning Global Glomerulosclerosis in Transplant Kidney Frozen Sections

Opportunities and obstacles for deep learning in biology and medicine

Machine learning liver-injuring drug interactions with non-steroidal anti-inflammatory drugs (NSAIDs) from a retrospective electronic health record (EHR) cohort

A simple model predicts UGT-mediated metabolism

Site-Level Bioactivity of Small-Molecules from Deep-Learned Representations of Quantum Chemistry

Mining small-molecule screens to repurpose drugs

Modeling Epoxidation of Drug-like Molecules with a Deep Machine Learning Network

Lamisil (terbinafine) toxicity: Determining pathways to bioactivation through computational and experimental approaches

Metabolic Forest: Predicting the Diverse Structures of Drug Metabolites

RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules

Accounting for proximal variants improves neoantigen prediction

Editorial: Advancements in computational studies of drug toxicity

A CROC stronger than ROC: measuring, visualizing and optimizing early retrieval

Modeling Reactivity to Biological Macromolecules with a Deep Multitask Network

CYP2C19 and 3A4 Dominate Metabolic Clearance and Bioactivation of Terbinafine Based on Computational and Experimental Approaches

XenoSite: Accurately Predicting CYP-Mediated Sites of Metabolism with Neural Networks

Deep learning quantification of percent steatosis in donor liver biopsy frozen sections

Bounds and Algorithms for Fast Exact Searches of Chemical Fingerprints in Linear and Sublinear Time

ChemDB: a public database of small molecules and related chemoinformatics resources

Inhibition of DNA Methyltransferases Blocks Mutant Huntingtin-Induced Neurotoxicity

Securely measuring the overlap between private datasets with cryptosets

Mathematical Correction for Fingerprint Similarity Measures to Improve Chemical Retrieval

Kernels for small molecules and the prediction of mutagenicity, toxicity and anti-cancer activity

Scaffold network generator: a tool for mining molecular structures

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