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An algorithm to identify functional groups in organic molecules

Journal of cheminformatics, 2017-06, Vol.9 (1), p.36-36, Article 36

Ertl, Peter

2017

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A Systematic Cheminformatics Analysis of Functional Groups Occurring in Natural Products

Journal of natural products (Washington, D.C.), 2019-05, Vol.82 (5), p.1258-1263

2019

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Craig plot 2.0: an interactive navigation in the substituent bioisosteric space

Journal of cheminformatics, 2020-01, Vol.12 (1), p.8-8, Article 8

Ertl, Peter

2020

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Recent advances in microfluidic technologies for cell-to-cell interaction studies

Lab on a chip, 2018-01, Vol.18 (2), p.249-27

2018

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Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

Journal of cheminformatics, 2009-06, Vol.1 (1), p.8-8, Article 8

2009

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Molecular structure input on the web

Journal of cheminformatics, 2010-02, Vol.2 (1), p.1-1, Article 1

Ertl, Peter

2010

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Tomorrow today: organ-on-a-chip advances towards clinically relevant pharmaceutical and medical in vitro models

Current opinion in biotechnology, 2019-02, Vol.55, p.81-86

2019

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A comparative study of five physiological key parameters between four different human trophoblast-derived cell lines

Scientific reports, 2017-07, Vol.7 (1), p.5892-11, Article 5892

2017

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Microfluidic systems for pathogen sensing: a review

Sensors, 2009-06, Vol.9 (6), p.4804-4823

2009

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Computational approaches to determine drug solubility

Advanced drug delivery reviews, 2007-07, Vol.59 (7), p.533-545

2007

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Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries

Journal of chemical information and modeling, 2008-01, Vol.48 (1), p.68-74

2008

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Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings

Journal of chemical information and modeling, 2022-05, Vol.62 (9), p.2164-2170

Ertl, Peter

2022

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Microfluidic Migration and Wound Healing Assay Based on Mechanically Induced Injuries of Defined and Highly Reproducible Areas

Analytical chemistry (Washington), 2017-02, Vol.89 (4), p.2326-2333

2017

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Lab-on-a-chip technologies for stem cell analysis

Trends in biotechnology (Regular ed.), 2014-05, Vol.32 (5), p.245-253

2014

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Small Force, Big Impact: Next Generation Organ-on-a-Chip Systems Incorporating Biomechanical Cues

Frontiers in physiology, 2018-10, Vol.9, p.1417-1417

2018

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Database of 4 Million Medicinal Chemistry-Relevant Ring Systems

Journal of chemical information and modeling, 2024-02, Vol.64 (4), p.1245-1250

Ertl, Peter

2024

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How Organ-on-a-Chip Technology Can Assist in Studying the Role of the Glymphatic System in Neurodegenerative Diseases

International journal of molecular sciences, 2023-01, Vol.24 (3), p.2171

2023

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Effect of Spheroidal Age on Sorafenib Diffusivity and Toxicity in a 3D HepG2 Spheroid Model

Scientific reports, 2019-03, Vol.9 (1), p.4863, Article 4863

2019

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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

Journal of medicinal chemistry, 2000-10, Vol.43 (20), p.3714-3717

2000

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A combined microfluidic deep learning approach for lung cancer cell high throughput screening toward automatic cancer screening applications

Scientific reports, 2021-05, Vol.11 (1), p.9804-9804, Article 9804

2021

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Substituents of life: The most common substituent patterns present in natural products

Bioorganic & medicinal chemistry, 2022-01, Vol.54, p.116562-116562, Article 116562

Ertl, Peter

2022

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A microfluidic impedance-based extended infectivity assay: combining retroviral amplification and cytopathic effect monitoring on a single lab-on-a-chip platform

Lab on a chip, 2021-04, Vol.21 (7), p.1364-1372

2021

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Natural product-likeness score revisited: an open-source, open-data implementation

BMC bioinformatics, 2012-05, Vol.13 (1), p.106-106, Article 106

2012

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Dependence of mitochondrial function on the filamentous actin cytoskeleton in cultured mesenchymal stem cells treated with cytochalasin B

Journal of bioscience and bioengineering, 2021-09, Vol.132 (3), p.310-320

2021

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Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

Molecular informatics, 2010-05, Vol.29 (5), p.366-385

2010

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An algorithm to identify functional groups in organic molecules

A Systematic Cheminformatics Analysis of Functional Groups Occurring in Natural Products

Craig plot 2.0: an interactive navigation in the substituent bioisosteric space

Recent advances in microfluidic technologies for cell-to-cell interaction studies

Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions

Molecular structure input on the web

Tomorrow today: organ-on-a-chip advances towards clinically relevant pharmaceutical and medical in vitro models

A comparative study of five physiological key parameters between four different human trophoblast-derived cell lines

Microfluidic systems for pathogen sensing: a review

Computational approaches to determine drug solubility

Natural Product-likeness Score and Its Application for Prioritization of Compound Libraries

Magic Rings: Navigation in the Ring Chemical Space Guided by the Bioactive Rings

Microfluidic Migration and Wound Healing Assay Based on Mechanically Induced Injuries of Defined and Highly Reproducible Areas

Lab-on-a-chip technologies for stem cell analysis

Small Force, Big Impact: Next Generation Organ-on-a-Chip Systems Incorporating Biomechanical Cues

Database of 4 Million Medicinal Chemistry-Relevant Ring Systems

How Organ-on-a-Chip Technology Can Assist in Studying the Role of the Glymphatic System in Neurodegenerative Diseases

Effect of Spheroidal Age on Sorafenib Diffusivity and Toxicity in a 3D HepG2 Spheroid Model

Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties

A combined microfluidic deep learning approach for lung cancer cell high throughput screening toward automatic cancer screening applications

Substituents of life: The most common substituent patterns present in natural products

A microfluidic impedance-based extended infectivity assay: combining retroviral amplification and cytopathic effect monitoring on a single lab-on-a-chip platform

Natural product-likeness score revisited: an open-source, open-data implementation

Dependence of mitochondrial function on the filamentous actin cytoskeleton in cultured mesenchymal stem cells treated with cytochalasin B

Bioisosteric Replacement and Scaffold Hopping in Lead Generation and Optimization

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