المؤلفون: Alan E. Bilsland (10867937), Kirsten McAulay (8921045), Ryan West (1786384), Angelo Pugliese (10867940), Justin Bower (2365753)

مصطلحات موضوعية: Genetics, Biotechnology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, term Feature Complexity, fragment library design, chemical autoencoders, FBHI, fragment complexity score, chemical space, chemical fingerprints, Screening Data, Automated Generation, novel molecules, Novel Fragments, Transfer Learning, Syntax Correction Fragment-based, fragment design, ring counts, syntax-corrected model, chemical complexity, library design, design applications, novel candidate, fragment elaboration, high-throughput screening approaches, molecule design, syntax-correction procedure

Relation: https://figshare.com/articles/journal_contribution/Automated_Generation_of_Novel_Fragments_Using_Screening_Data_a_Dual_SMILES_Autoencoder_Transfer_Learning_and_Syntax_Correction/14669519

الاتاحة: https://doi.org/10.1021/acs.jcim.0c01226.s002

المؤلفون: Alan E. Bilsland (10867937), Kirsten McAulay (8921045), Ryan West (1786384), Angelo Pugliese (10867940), Justin Bower (2365753)

مصطلحات موضوعية: Genetics, Biotechnology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, term Feature Complexity, fragment library design, chemical autoencoders, FBHI, fragment complexity score, chemical space, chemical fingerprints, Screening Data, Automated Generation, novel molecules, Novel Fragments, Transfer Learning, Syntax Correction Fragment-based, fragment design, ring counts, syntax-corrected model, chemical complexity, library design, design applications, novel candidate, fragment elaboration, high-throughput screening approaches, molecule design, syntax-correction procedure

Relation: https://figshare.com/articles/dataset/Automated_Generation_of_Novel_Fragments_Using_Screening_Data_a_Dual_SMILES_Autoencoder_Transfer_Learning_and_Syntax_Correction/14669516

الاتاحة: https://doi.org/10.1021/acs.jcim.0c01226.s001

المؤلفون: Alan E. Bilsland (10867937), Kirsten McAulay (8921045), Ryan West (1786384), Angelo Pugliese (10867940), Justin Bower (2365753)

مصطلحات موضوعية: Genetics, Biotechnology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, term Feature Complexity, fragment library design, chemical autoencoders, FBHI, fragment complexity score, chemical space, chemical fingerprints, Screening Data, Automated Generation, novel molecules, Novel Fragments, Transfer Learning, Syntax Correction Fragment-based, fragment design, ring counts, syntax-corrected model, chemical complexity, library design, design applications, novel candidate, fragment elaboration, high-throughput screening approaches, molecule design, syntax-correction procedure

Relation: https://figshare.com/articles/dataset/Automated_Generation_of_Novel_Fragments_Using_Screening_Data_a_Dual_SMILES_Autoencoder_Transfer_Learning_and_Syntax_Correction/14669522

الاتاحة: https://doi.org/10.1021/acs.jcim.0c01226.s003

المؤلفون: Alan E. Bilsland (10867937), Kirsten McAulay (8921045), Ryan West (1786384), Angelo Pugliese (10867940), Justin Bower (2365753)

مصطلحات موضوعية: Genetics, Biotechnology, Space Science, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, term Feature Complexity, fragment library design, chemical autoencoders, FBHI, fragment complexity score, chemical space, chemical fingerprints, Screening Data, Automated Generation, novel molecules, Novel Fragments, Transfer Learning, Syntax Correction Fragment-based, fragment design, ring counts, syntax-corrected model, chemical complexity, library design, design applications, novel candidate, fragment elaboration, high-throughput screening approaches, molecule design, syntax-correction procedure

Relation: https://figshare.com/articles/dataset/Automated_Generation_of_Novel_Fragments_Using_Screening_Data_a_Dual_SMILES_Autoencoder_Transfer_Learning_and_Syntax_Correction/14669525

الاتاحة: https://doi.org/10.1021/acs.jcim.0c01226.s004