Lista de obras - George Papadatos - Dominio Público Uruguay

A document classifier for medicinal chemistry publications trained on the ChEMBL corpus

artículo científico publicado en 2014

A large-scale crop protection bioassay data set

artículo científico publicado en 2015

ADME SARfari: comparative genomics of drug metabolizing systems.

artículo científico publicado en 2015

Activity, assay and target data curation and quality in the ChEMBL database

artículo científico publicado en 2015

Analysis of neighborhood behavior in lead optimization and array design

artículo científico publicado en 2009

Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set

ChEMBL Beaker: A Lightweight Web Framework Providing Robust and Extensible Cheminformatics Services

ChEMBL web services: streamlining access to drug discovery data and utilities

artículo científico publicado en 2015

ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database

artículo científico publicado en 2012

Evaluation of machine-learning methods for ligand-based virtual screening

artículo científico publicado en 2007

In silico applications of bioisosterism in contemporary medicinal chemistry practice

Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity

artículo científico publicado en 2010

Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents

artículo científico publicado en 2015

Mining for Context-Sensitive Bioisosteric Replacements in Large Chemical Databases

MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data

Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation

artículo científico publicado en 2015

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond

artículo científico publicado en 2016

Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles

artículo científico publicado en 2016

Optimal Piecewise Linear Regression Algorithm for QSAR Modelling

scientific article published on 24 September 2018

Patterns of database citation in articles and patents indicate long-term scientific and industry value of biological data resources

artículo científico publicado en 2016

Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery

artículo científico publicado en 2015

Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum

artículo científico publicado en 2014

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition

artículo científico publicado en 2017

SureChEMBL: a large-scale, chemically annotated patent document database.

artículo científico publicado en 2015

Target prediction for an open access set of compounds active against Mycobacterium tuberculosis

artículo científico publicado en 2013

The ChEMBL bioactivity database: an update

artículo científico publicado en 2014

The ChEMBL database in 2017

artículo científico publicado en 2017

The ChEMBL database: a taster for medicinal chemists

artículo científico publicado en 2014

USING CHEMOINFORMATICS TOOLS TO ANALYZE CHEMICAL ARRAYS IN LEAD OPTIMIZATION

Unexplored therapeutic opportunities in the human genome

scientific article published on 23 March 2018

Unexplored therapeutic opportunities in the human genome.

artículo científico publicado en 2018

UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers

artículo científico publicado en 2014

Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?

artículo científico publicado en 2016

myChEMBL: a virtual machine implementation of open data and cheminformatics tools

artículo científico publicado en 2014

Lista de obras de George Papadatos

A document classifier for medicinal chemistry publications trained on the ChEMBL corpus

A large-scale crop protection bioassay data set

ADME SARfari: comparative genomics of drug metabolizing systems.

Activity, assay and target data curation and quality in the ChEMBL database

Analysis of neighborhood behavior in lead optimization and array design

Beyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark Set

ChEMBL Beaker: A Lightweight Web Framework Providing Robust and Extensible Cheminformatics Services

ChEMBL web services: streamlining access to drug discovery data and utilities

ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database

Evaluation of machine-learning methods for ligand-based virtual screening

In silico applications of bioisosterism in contemporary medicinal chemistry practice

Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity

Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents

Mining for Context-Sensitive Bioisosteric Replacements in Large Chemical Databases

MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data

Mycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validation

Open Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and Beyond

Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos Arylpyrroles

Optimal Piecewise Linear Regression Algorithm for QSAR Modelling

Patterns of database citation in articles and patents indicate long-term scientific and industry value of biological data resources

Release of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discovery

Screening and hit evaluation of a chemical library against blood-stage Plasmodium falciparum

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition

SureChEMBL: a large-scale, chemically annotated patent document database.

Target prediction for an open access set of compounds active against Mycobacterium tuberculosis

The ChEMBL bioactivity database: an update

The ChEMBL database in 2017

The ChEMBL database: a taster for medicinal chemists

USING CHEMOINFORMATICS TOOLS TO ANALYZE CHEMICAL ARRAYS IN LEAD OPTIMIZATION

Unexplored therapeutic opportunities in the human genome

Unexplored therapeutic opportunities in the human genome.

UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers

Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?

myChEMBL: a virtual machine implementation of open data and cheminformatics tools