المؤلفون: Marie Oestreich, Iva Ewert, Matthias Becker

المصدر: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-14 (2024)

مصطلحات موضوعية: Molecular autoencoders, Latent space optimization, Sustainability, Resource optimization, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

العلاقة: https://doaj.org/toc/1758-2946Test

الوصول الحر: https://doaj.org/article/9564c81fcebf465298f539ee1d29ff16Test

المؤلفون: Yaqin Li, Yongjin Xu, Yi Yu

المصدر: Molecules; Volume 26; Issue 23; Pages: 7257

مصطلحات موضوعية: DEEP learning, molecular autoencoders, QSAR, RNN, CNN, transfer learning

جغرافية الموضوع: agris

وصف الملف: application/pdf

العلاقة: Medicinal Chemistry; https://dx.doi.org/10.3390/molecules26237257Test

الإتاحة: https://doi.org/10.3390/molecules26237257Test

المؤلفون: Esben Jannik Bjerrum, Boris Sattarov

المصدر: Biomolecules; Volume 8; Issue 4; Pages: 131

مصطلحات موضوعية: deep learning, RNN, LSTM, de novo molecule design, molecular autoencoders, molecular heteroencoders, molecular data augmentation

جغرافية الموضوع: agris

وصف الملف: application/pdf

العلاقة: https://dx.doi.org/10.3390/biom8040131Test

الإتاحة: https://doi.org/10.3390/biom8040131Test

المؤلفون: Yongjin Xu, Yaqin Li, Yi Yu

المصدر: Molecules, Vol 26, Iss 7257, p 7257 (2021)
Molecules; Volume 26; Issue 23; Pages: 7257
Molecules

مصطلحات موضوعية: Quantitative structure–activity relationship, molecular autoencoders, Computer science, Feature extraction, Sequence Feature, Quantitative Structure-Activity Relationship, Pharmaceutical Science, transfer learning, 010402 general chemistry, Machine learning, computer.software_genre, RNN, 01 natural sciences, Article, DEEP learning, Analytical Chemistry, 03 medical and health sciences, QD241-441, Isomerism, Drug Discovery, Organic Chemicals, Physical and Theoretical Chemistry, 030304 developmental biology, 0303 health sciences, Binding Sites, QSAR, business.industry, Deep learning, Organic Chemistry, Models, Theoretical, CNN, Performance results, 0104 chemical sciences, Recurrent neural network, Databases as Topic, ROC Curve, Chemistry (miscellaneous), Area Under Curve, Regression Analysis, Molecular Medicine, Neural Networks, Computer, Artificial intelligence, Transfer of learning, business, computer

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::689cc2ae10e85303c68e53ff63dcd67aTest
https://doi.org/10.3390/molecules26237257Test

المؤلفون: Li, Y. Q., Xu, Yongjin, Yu, Yi

المصدر: Molecules. 26(23)

مصطلحات موضوعية: Biochemistry and Molecular Biology, Biokemi och molekylärbiologi, DEEP learning, molecular autoencoders, QSAR, RNN, CNN, transfer learning, prediction, Biochemistry & Molecular Biology, Chemistry

الوصول الحر: https://gup.ub.gu.se/publication/313201Test

المؤلفون: Boris Sattarov, Esben Jannik Bjerrum

المصدر: Biomolecules, Vol 8, Iss 4, p 131 (2018)
Biomolecules
Volume 8
Issue 4

مصطلحات موضوعية: FOS: Computer and information sciences, 0301 basic medicine, Computer Science - Machine Learning, molecular autoencoders, Computer science, de novo molecule design, lcsh:QR1-502, Machine Learning (stat.ML), RNN, 01 natural sciences, Biochemistry, lcsh:Microbiology, Machine Learning (cs.LG), 03 medical and health sciences, Similarity (network science), Statistics - Machine Learning, Representation (mathematics), Molecular Biology, Sequence, business.industry, String (computer science), deep learning, Pattern recognition, Complex network, molecular heteroencoders, Autoencoder, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Recurrent neural network, Artificial intelligence, LSTM, business, molecular data augmentation

وصف الملف: application/pdf

الوصول الحر: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::70ddf3982df024d66062b48105762cefTest
https://doi.org/10.3390/biom8040131Test