LIT-PCBA

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LIT-PCBA

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:25.363336

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lit-pcba

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:25.363336

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Other names: lit-pcba

An Unbiased Data Set for Machine Learning and Virtual Screening. 15 target sets, 9780 actives,and 407839 inactives from high-confidence PubChem Bioassay data. LIT-PCBA: A dataset for virtual screening and machine learninig.

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Publications

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LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening
PMID: 32282202

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:25.363336

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• LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening PubMed citations: 10.

  10 articles citing: LIT-PCBA: An Unbiased Data Set for Machine Learning and Virtual Screening

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  Explaining and avoiding failure modes in goal-directed generation of small molecules. PMID:35365218

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  A feature transferring workflow between data-poor compounds in various tasks. PMID:35353844

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  Challenges and Tools for In Vitro Leishmania Exploratory Screening in the Drug Development Process: An Updated Review. PMID:34959563

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  PreBINDS: An Interactive Web Tool to Create Appropriate Datasets for Predicting Compound-Protein Interactions. PMID:34938773

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  Virtual Screening with Gnina 1.0. PMID:34885952

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  Comprehensive Survey of Recent Drug Discovery Using Deep Learning. PMID:34576146

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  FRAGSITE: A Fragment-Based Approach for Virtual Ligand Screening. PMID:33724022

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  Generating Property-Matched Decoy Molecules Using Deep Learning. PMID:33532838

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  Three-Dimensional Convolutional Neural Networks and a Cross-Docked Data Set for Structure-Based Drug Design. PMID:32865404

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  Benchmarking Data Sets from PubChem BioAssay Data: Current Scenario and Room for Improvement. PMID:32575564

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machine learning

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:25.363336

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molecular modelling

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:25.363336

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compound libraries and screening

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:25.363336

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immunoproteins and antigens

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:25.363336

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small molecules

metasource: bio.tools
version: extracted_at: 2022-11-04T11:28:25.363336

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molecular modelling compound libraries and screening immunoproteins and antigens small molecule