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Classification of scaffold-hopping approaches

Drug discovery today, 2012-04, Vol.17 (7-8), p.310-324

2012

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Pharmacophore-based virtual screening

Current medicinal chemistry, 2008-04, Vol.15 (10), p.1018

Sun, Hongma

2008

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Practical Guide to Rational Drug Design

Hongmao, Sun

1, 2015

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Thymine DNA glycosylase as a novel target for melanoma

Oncogene, 2019-05, Vol.38 (19), p.3710-3728

2019

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Highly predictive and interpretable models for PAMPA permeability

Bioorganic & medicinal chemistry, 2017-02, Vol.25 (3), p.1266-1276

2017

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A selective USP1-UAF1 inhibitor links deubiquitination to DNA damage responses

Nature chemical biology, 2014-04, Vol.10 (4), p.298

2014

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Selective Small-Molecule Inhibitor Reveals Critical Mitotic Functions of Human CDK1

Proceedings of the National Academy of Sciences - PNAS, 2006-07, Vol.103 (28), p.10660-10665

2006

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A Universal Molecular Descriptor System for Prediction of LogP, LogS, LogBB, and Absorption

Journal of Chemical Information and Computer Sciences, 2004-03, Vol.44 (2), p.748-757

Sun, Hongmao

2004

Volltextzugriff (PDF)

A Naive Bayes Classifier for Prediction of Multidrug Resistance Reversal Activity on the Basis of Atom Typing

Journal of medicinal chemistry, 2005-06, Vol.48 (12), p.4031-4039

Sun, Hongmao

2005

Volltextzugriff (PDF)

High-throughput matrix screening identifies synergistic and antagonistic antimalarial drug combinations

Scientific reports, 2015-09, Vol.5 (1), p.13891, Article 13891

2015

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Predictive Models for Cytochrome P450 Isozymes Based on Quantitative High Throughput Screening Data

Journal of chemical information and modeling, 2011-10, Vol.51 (10), p.2474-2481

2011

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A Comprehensive Phenotypic Screening Strategy to Identify Modulators of Cargo Translocation by the Bacterial Type IVB Secretion System

mBio, 2022-04, Vol.13 (2), p.e0024022-e0024022

2022

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Genomic and protein expression analysis reveals flap endonuclease 1 (FEN1) as a key biomarker in breast and ovarian cancer

Molecular oncology, 2014-10, Vol.8 (7), p.1326-1338

2014

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Support vector machines classification of hERG liabilities based on atom types

Bioorganic & medicinal chemistry, 2008-06, Vol.16 (11), p.6252-6260

2008

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Structure Based Model for the Prediction of Phospholipidosis Induction Potential of Small Molecules

Journal of chemical information and modeling, 2012-07, Vol.52 (7), p.1798-1805

2012

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Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors

Bioorganic & medicinal chemistry letters, 2013-12, Vol.23 (24), p.6610-6615

2013

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Genomic and functional characterizations of phosphodiesterase subtype 4D in human cancers

Proceedings of the National Academy of Sciences - PNAS, 2013-04, Vol.110 (15), p.6109-6114

2013

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Identification of potent Yes1 kinase inhibitors using a library screening approach

Bioorganic & medicinal chemistry letters, 2013-08, Vol.23 (15), p.4398-4403

2013

Volltextzugriff (PDF)

Identification of novel PARP inhibitors using a cell-based TDP1 inhibitory assay in a quantitative high-throughput screening platform

DNA repair, 2014-09, Vol.21, p.177-182

2014

Volltextzugriff (PDF)

A High-Throughput Screen Identifies 2,9-Diazaspiro[5.5]Undecanes as Inducers of the Endoplasmic Reticulum Stress Response with Cytotoxic Activity in 3D Glioma Cell Models

PloS one, 2016-08, Vol.11 (8), p.e0161486-e0161486

2016

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Development of a multitask deep learning QSAR model using data from individual cytochrome P450 isozymes

Drug metabolism and pharmacokinetics, 2018-01, Vol.33 (1), p.S35-S36

2018

Volltextzugriff (PDF)

Correction: A High-Throughput Screen Identifies 2,9-Diazaspiro[5.5]Undecanes as Inducers of the Endoplasmic Reticulum Stress Response with Cytotoxic Activity in 3D Glioma Cell Models

PloS one, 2016-11, Vol.11 (11), p.e0166506-e0166506

2016

Volltextzugriff (PDF)

An Accurate and Interpretable Bayesian Classification Model for Prediction of hERG Liability

ChemMedChem, 2006-03, Vol.1 (3), p.315-322

Sun, Hongmao

2006

Volltextzugriff (PDF)

Deep Graph Learning with Property Augmentation for Predicting Drug-Induced Liver Injury

Chemical research in toxicology, 2021-02, Vol.34 (2), p.495-506

2021

Volltextzugriff (PDF)

Molecular modeling of melanocortin receptors

Current topics in medicinal chemistry, 2007-06, Vol.7 (11), p.1042

2007

Volltextzugriff (PDF)

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Classification of scaffold-hopping approaches

Pharmacophore-based virtual screening

Practical Guide to Rational Drug Design

Thymine DNA glycosylase as a novel target for melanoma

Highly predictive and interpretable models for PAMPA permeability

A selective USP1-UAF1 inhibitor links deubiquitination to DNA damage responses

Selective Small-Molecule Inhibitor Reveals Critical Mitotic Functions of Human CDK1

A Universal Molecular Descriptor System for Prediction of LogP, LogS, LogBB, and Absorption

A Naive Bayes Classifier for Prediction of Multidrug Resistance Reversal Activity on the Basis of Atom Typing

High-throughput matrix screening identifies synergistic and antagonistic antimalarial drug combinations

Predictive Models for Cytochrome P450 Isozymes Based on Quantitative High Throughput Screening Data

A Comprehensive Phenotypic Screening Strategy to Identify Modulators of Cargo Translocation by the Bacterial Type IVB Secretion System

Genomic and protein expression analysis reveals flap endonuclease 1 (FEN1) as a key biomarker in breast and ovarian cancer

Support vector machines classification of hERG liabilities based on atom types

Structure Based Model for the Prediction of Phospholipidosis Induction Potential of Small Molecules

Pyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors

Genomic and functional characterizations of phosphodiesterase subtype 4D in human cancers

Identification of potent Yes1 kinase inhibitors using a library screening approach

Identification of novel PARP inhibitors using a cell-based TDP1 inhibitory assay in a quantitative high-throughput screening platform

A High-Throughput Screen Identifies 2,9-Diazaspiro[5.5]Undecanes as Inducers of the Endoplasmic Reticulum Stress Response with Cytotoxic Activity in 3D Glioma Cell Models

Development of a multitask deep learning QSAR model using data from individual cytochrome P450 isozymes

Correction: A High-Throughput Screen Identifies 2,9-Diazaspiro[5.5]Undecanes as Inducers of the Endoplasmic Reticulum Stress Response with Cytotoxic Activity in 3D Glioma Cell Models

An Accurate and Interpretable Bayesian Classification Model for Prediction of hERG Liability

Deep Graph Learning with Property Augmentation for Predicting Drug-Induced Liver Injury

Molecular modeling of melanocortin receptors

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