المؤلفون: Tamas Yelland (5135630), Esther Garcia (4536898), Charles Parry (733543), Dominika Kowalczyk (12033030), Marta Wojnowska (4888132), Andrea Gohlke (1669219), Matja Zalar (6733547), Kenneth Cameron (703309), Gillian Goodwin (12033033), Qing Yu (337275), Peng-Cheng Zhu (1468657), Yasmin ElMaghloob (12033036), Angelo Pugliese (10867940), Lewis Archibald (12033039), Andrew Jamieson (3560462), Yong Xiang Chen (12033042), Duncan McArthur (12033045), Justin Bower (2365753), Shehab Ismail (1786651)

مصطلحات موضوعية: Biophysics, Biochemistry, Cell Biology, Pharmacology, Biotechnology, Cancer, Computational Biology, Space Science, spr fragment screening, potential anticancer small, requires membrane localization, different cell lines, binding protein pde6d, study forms, strategy might, stoichiometric ratios, primary cilium, pde6d vary, pde6d interface, pde6d complex, novel strategy, identified fragments, erk signaling, cocrystal structures

Relation: https://figshare.com/articles/journal_contribution/Stabilization_of_the_RAS_PDE6D_Complex_Is_a_Novel_Strategy_to_Inhibit_RAS_Signaling/19106727

الاتاحة: https://doi.org/10.1021/acs.jmedchem.1c01265.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/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