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ChEMBL: towards direct deposition of bioassay data

Nucleic acids research, 2019-01, Vol.47 (D1), p.D930

2019

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An analysis of the attrition of drug candidates from four major pharmaceutical companies

Nature reviews. Drug discovery, 2015-07, Vol.14 (7), p.475-486

2015

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Structure-Based Drug Discovery

1. Aufl., 2007

Volltextzugriff (PDF)

An Introduction to Chemoinformatics

Rev ed., 2007

Volltextzugriff (PDF)

An open source chemical structure curation pipeline using RDKit

Journal of cheminformatics, 2020-09, Vol.12 (1), p.51-51, Article 51

2020

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The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

Nucleic acids research, 2024-01, Vol.52 (D1), p.D1180

2024

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Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Journal of cheminformatics, 2019-01, Vol.11 (1), p.4-4, Article 4

2019

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Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps

Journal of medicinal chemistry, 2006-10, Vol.49 (20), p.5851-5855

2006

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Three-Dimensional Pharmacophore Methods in Drug Discovery

Journal of medicinal chemistry, 2010-01, Vol.53 (2), p.539-558

2010

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Drug mechanism‐of‐action discovery through the integration of pharmacological and CRISPR screens

Molecular systems biology, 2020-07, Vol.16 (7), p.e9405-n/a

2020

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Influence of HLA Class II Polymorphism on Predicted Cellular Immunity Against SARS-CoV-2 at the Population and Individual Level

Frontiers in immunology, 2021-07, Vol.12, p.669357-669357

2021

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Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs

Chemical research in toxicology, 2021-02, Vol.34 (2), p.385-395

2021

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A data science roadmap for open science organizations engaged in early-stage drug discovery

Nature communications, 2024-07, Vol.15 (1), p.5640-10, Article 5640

2024

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Illuminating the druggable genome through patent bioactivity data

PeerJ (San Francisco, CA), 2023-05, Vol.11, p.e15153-e15153, Article e15153

2023

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MAIP: a web service for predicting blood‐stage malaria inhibitors

Journal of cheminformatics, 2021-02, Vol.13 (1), p.13-13, Article 13

2021

Volltextzugriff (PDF)

The PROTACtable genome

Nature reviews. Drug discovery, 2021-10, Vol.20 (10), p.789-797

2021

Volltextzugriff (PDF)

The ChEMBL database in 2017

Nucleic acids research, 2017-01, Vol.45 (D1), p.D945

2017

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Integrative GWAS and co-localisation analysis suggests novel genes associated with age-related multimorbidity

Scientific data, 2023-09, Vol.10 (1), p.655-655, Article 655

2023

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Editorial overview: Restructuring drug design and development

Current opinion in structural biology, 2023-12, Vol.83, p.102727-102727, Article 102727

2023

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Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”

Journal of cheminformatics, 2019-11, Vol.11 (1), p.64-3, Article 64

2019

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Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies

Journal of medicinal chemistry, 2021-06, Vol.64 (11), p.7210-7230

2021

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Molecular complexity and fragment-based drug discovery: ten years on

Current opinion in chemical biology, 2011-08, Vol.15 (4), p.489-496

2011

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Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery

Journal of Chemical Information and Computer Sciences, 2001-05, Vol.41 (3), p.856-864

2001

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Occurrence of “Natural Selection” in Successful Small Molecule Drug Discovery

Journal of medicinal chemistry, 2024-07, Vol.67 (13), p.11226-11241

2024

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ChEMBL: towards direct deposition of bioassay data

An analysis of the attrition of drug candidates from four major pharmaceutical companies

Structure-Based Drug Discovery

An Introduction to Chemoinformatics

An open source chemical structure curation pipeline using RDKit

The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Prediction of Protein−Ligand Interactions. Docking and Scoring: Successes and Gaps

Three-Dimensional Pharmacophore Methods in Drug Discovery

Drug mechanism‐of‐action discovery through the integration of pharmacological and CRISPR screens

Influence of HLA Class II Polymorphism on Predicted Cellular Immunity Against SARS-CoV-2 at the Population and Individual Level

Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs

A data science roadmap for open science organizations engaged in early-stage drug discovery

Genome-wide association analysis and Mendelian randomization proteomics identify drug targets for heart failure

Illuminating the druggable genome through patent bioactivity data

MAIP: a web service for predicting blood‐stage malaria inhibitors

The PROTACtable genome

The ChEMBL database in 2017

Integrative GWAS and co-localisation analysis suggests novel genes associated with age-related multimorbidity

Editorial overview: Restructuring drug design and development

Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”

Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies

Molecular complexity and fragment-based drug discovery: ten years on

Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery

Occurrence of “Natural Selection” in Successful Small Molecule Drug Discovery

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