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Open Source Drug Discovery: Highly Potent Antimalarial Compounds Derived from the Tres Cantos ArylpyrrolesThe ChEMBL bioactivity database: an updateOpen Source Drug Discovery with the Malaria Box Compound Collection for Neglected Diseases and BeyondUniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layersManaging expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patentsA document classifier for medicinal chemistry publications trained on the ChEMBL corpusTarget prediction for an open access set of compounds active against Mycobacterium tuberculosisMycobacterial dihydrofolate reductase inhibitors identified using chemogenomic methods and in vitro validationRelease of 50 new, drug-like compounds and their computational target predictions for open source anti-tubercular drug discoveryThe ChEMBL database in 2017Patterns of database citation in articles and patents indicate long-term scientific and industry value of biological data resourcesActivity, assay and target data curation and quality in the ChEMBL databaseA large-scale crop protection bioassay data setChEMBL web services: streamlining access to drug discovery data and utilitiesmyChEMBL: a virtual machine implementation of open data and cheminformatics toolsScreening 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.Evaluation of machine-learning methods for ligand-based virtual screening.Unprecedently Large-Scale Kinase Inhibitor Set Enabling the Accurate Prediction of Compound-Kinase Activities: A Way toward Selective Promiscuity by Design?ADME SARfari: comparative genomics of drug metabolizing systems.Lead optimization using matched molecular pairs: inclusion of contextual information for enhanced prediction of HERG inhibition, solubility, and lipophilicity.Analysis of neighborhood behavior in lead optimization and array design.ChEMBLSpace--a graphical explorer of the chemogenomic space covered by the ChEMBL database.The ChEMBL database: a taster for medicinal chemists.Unexplored therapeutic opportunities in the human genome.MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open DataBeyond the Hype: Deep Neural Networks Outperform Established Methods Using A ChEMBL Bioactivity Benchmark SetChEMBL Beaker: A Lightweight Web Framework Providing Robust and Extensible Cheminformatics ServicesUSING CHEMOINFORMATICS TOOLS TO ANALYZE CHEMICAL ARRAYS IN LEAD OPTIMIZATIONIn silico applications of bioisosterism in contemporary medicinal chemistry practiceMining for Context-Sensitive Bioisosteric Replacements in Large Chemical DatabasesUnexplored therapeutic opportunities in the human genomeOptimal Piecewise Linear Regression Algorithm for QSAR Modelling
P50
Q26883657-D1F452A4-6486-4168-A14B-11E9D225402FQ27144224-79037BB3-75B1-41C0-A249-0E339FD9D233Q27826351-3DB2EE3F-FF3E-4D2E-AEAD-00CEA9E6C9F6Q27902274-8E380E62-4C08-4457-9A17-C2C6E05FB905Q27902313-2D3A14BD-F083-44F0-A4CE-BB534DB65F2CQ27902337-46B62C56-A4AC-4F2F-8F5E-E16794914681Q28534065-40DF0415-D41B-4DE4-9208-A5A242324CB1Q28544916-BE530807-2200-4F14-BF0D-7BD6D18EFEAAQ28551386-820E1C3B-62E9-4286-9CFF-A172A9191F1EQ28584450-75AA29FE-1C02-43A7-BF21-C4EA39AE1295Q28601180-90B0F56A-1183-44B8-BACF-47370523C7AAQ28611248-053D1C79-9F36-4651-8334-4E4C7A96D5E6Q28647441-3086BC81-4389-4217-87A0-223C14619DCBQ28647641-B2BEF4BE-60E7-4C2B-A204-E4FD5CC95741Q28660596-BC99548A-8425-40B0-B28B-A43E5517F72AQ33891625-DE14D86C-18E7-4380-B0C4-C97829607F1DQ36296468-58C8F2B8-31EA-4D14-B3C9-838625DA191EQ36434910-3CA67A6C-8C90-487F-96D3-678A142CC519Q36700190-BA85B043-52D7-4B10-8140-70256FD5D54EQ39534317-81815853-9272-4A16-9797-17B1947A8A9DQ40518041-F6C2A54B-22BC-4D11-9DE6-7B6FCC47258FQ43730513-709D74CC-4C95-4FC6-AA09-ED276E0302ADQ46149672-E9E21E5A-0F80-4F0B-8CC6-1AE8A9E1B44DQ47931457-EFC2136B-20EE-421D-B06D-84A26B593569Q51292693-ECAB3407-752D-434E-A5A5-7176CCBB2585Q52689109-0D3239CB-6B47-4133-A7D9-109683EC0113Q54152491-354AEEB3-9CF3-4430-8A00-A284E0857C28Q56915968-D26A27C4-E91E-48FC-BE25-A83ADD0608D4Q56915983-925EFAAF-39AB-4799-8EA4-84C4E6F6D8A5Q56915997-08623A35-D26C-47ED-9CE1-7A3B092198CEQ56916006-5D10B908-7900-4552-B936-836299486702Q56916017-411D6667-C324-48E0-9718-970A305E5830Q88138572-1D2DF1CF-A91A-45D8-A138-737AF1E1E52CQ91714290-ACFCFCDF-FD11-4A1A-8CD2-0240808793EE
P50
description
hulumtues
@sq
onderzoeker
@nl
researcher
@en
հետազոտող
@hy
name
George Papadatos
@en
George Papadatos
@es
George Papadatos
@nl
George Papadatos
@sl
type
label
George Papadatos
@en
George Papadatos
@es
George Papadatos
@nl
George Papadatos
@sl
prefLabel
George Papadatos
@en
George Papadatos
@es
George Papadatos
@nl
George Papadatos
@sl
P106
P21
P2456
P31
P496
0000-0002-8314-7061