المؤلفون: Zishuo Zeng, Jin Guo, Jiao Jin, Xiaozhou Luo

المصدر: Journal of Cheminformatics, Vol 17, Iss 1, Pp 1-9 (2025)

مصطلحات موضوعية: Reaction EC number, Contrastive learning, Reaction embeddings, Metabolic model, Computer-aided synthesis planning, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/72acf5f8d83d49678b1e525df58b7a56

المؤلفون: Lakshidaa Saigiridharan, Alan Kai Hassen, Helen Lai, Paula Torren-Peraire, Ola Engkvist, Samuel Genheden

المصدر: Journal of Cheminformatics, Vol 16, Iss 1, Pp 1-11 (2024)

مصطلحات موضوعية: Computer-aided synthesis planning, Retrosynthesis software, Multi-step retrosynthesis, Open-source, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/e108db6d41a54ae9911ac63540ba4e54

المؤلفون: Marta Pasquini, Marco Stenta

المصدر: Journal of Cheminformatics, Vol 15, Iss 1, Pp 1-17 (2023)

مصطلحات موضوعية: Reaction, Chemoinformatics, Computer-aided synthesis planning, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/3f8f033a384444598f8950d4b03e88b7

المؤلفون: Min Htoo Lin, Zhengkai Tu, Connor W. Coley

المصدر: Journal of Cheminformatics, Vol 14, Iss 1, Pp 1-13 (2022)

مصطلحات موضوعية: Computer-aided synthesis planning, Energy-based model, Cheminformatics, Machine learning, Synthetic chemistry, Information technology, T58.5-58.64, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://doaj.org/toc/1758-2946

URL الوصول: https://doaj.org/article/80f52e3998dd4476b552b4e988f5918e

المؤلفون: Amol Thakkar, Jean-Louis Reymond

المصدر: CHIMIA, Vol 76, Iss 4 (2022)

مصطلحات موضوعية: Computer Aided Synthesis Planning, Computational Chemistry, Reaction informatics, Retrosynthesis, Chemistry, QD1-999

وصف الملف: electronic resource

Relation: https://chimia.ch/chimia/article/view/5893; https://doaj.org/toc/0009-4293; https://doaj.org/toc/2673-2424

URL الوصول: https://doaj.org/article/70c2e54661c24bb3b84aeff52a2293de

المؤلفون: Ishida, Shoichi, 石田, 祥一, イシダ, ショウイチ

المساهمون: 高須, 清誠, 石濱, 泰, 大野, 浩章

مصطلحات موضوعية: computer-aided synthesis planning, artificial intelligence, retrosynthetic analysis, graph convolutional networks, monte-carlo tree search

وصف الملف: application/pdf

URL الوصول: https://ndlsearch.ndl.go.jp/books/R100000039-I12219469

Degree: 博士(薬学) -- Doctor of Pharmaceutical Sciences -- 京都大学

المؤلفون: Fino, Roberto, Lenhart, Dominik, Kalel, Vishal C., Softley, Charlotte A., Napolitano, Valeria, Byrne, Ryan, Schliebs, Wolfgang, Dawidowski, Maciej, Erdmann, Ralf, Sattler, Michael, Schneider, Gisbert, Plettenburg, Oliver, Popowicz, Grzegorz M.

المصدر: Journal of Chemical Information and Modeling 61 (2021), Nr. 10 ; Journal of Chemical Information and Modeling

مصطلحات موضوعية: Computer aided design, Lead compounds, Proteins, Scaffolds (biology), Cell process, Computer aided drug design, Computer-aided design, Computer-aided synthesis, Drug Design, Drug development, Lead optimization, matrix, Protein-protein interface, Structural biology, Cell death, ddc:540

Relation: ESSN:1549-960X; http://dx.doi.org/10.15488/16698; https://www.repo.uni-hannover.de/handle/123456789/16825

الاتاحة: https://www.repo.uni-hannover.de/handle/123456789/16825
https://doi.org/10.15488/16698

المؤلفون: Haywood, Alexe L.

مصطلحات موضوعية: machine learning, Computer-Aided Synthesis Planning, drug discovery, chemical synthesis

وصف الملف: application/pdf

Relation: https://eprints.nottingham.ac.uk/77169/1/HaywoodAlexe_Thesis.pdf; Haywood, Alexe L. (2024) Artificial Intelligence for Chemical Synthesis: Improving the Workflow of Medicinal Chemists using Computer-Aided Synthesis Planning. PhD thesis, University of Nottingham.

الاتاحة: http://eprints.nottingham.ac.uk/77169/
https://eprints.nottingham.ac.uk/77169/1/HaywoodAlexe_Thesis.pdf

المؤلفون: Samuel Genheden (9678749), Ola Engkvist (9032044), Esben Jannik Bjerrum (4400053)

مصطلحات موضوعية: Organic Synthesis and Reactions, Chemoinformatics, Machine Learning, computer-aided synthesis prediction, tree edit distance, clustering, tree LSTM

Relation: https://figshare.com/articles/preprint/Fast_Prediction_of_Distances_Between_Synthetic_Routes_with_Deep_Learning/14778150

الاتاحة: https://doi.org/10.26434/chemrxiv.14778150.v1

المؤلفون: Muratahan Aykol (8448435), Joseph H. Montoya (8455893), Jens Strabo Hummelshøj (6037095)

مصطلحات موضوعية: Solid State Chemistry, Theory - Inorganic, Computational Chemistry and Modeling, Theory - Computational, Physical and Chemical Processes, Thermodynamics (Physical Chem.), Machine Learning, Artificial Intelligence, Chemoinformatics - Computational Chemistry, Synthesis planning, Inorganic compounds, Computer-aided synthesis planning, Rational synthesis, Solid-State Synthesis

Relation: https://figshare.com/articles/preprint/Rational_Solid-State_Synthesis_Routes_for_Inorganic_Materials/13546484

الاتاحة: https://doi.org/10.26434/chemrxiv.13546484.v2

المؤلفون: Vipul Mann (9375494), Venkat Venkatasubramanian (9402754)

مصطلحات موضوعية: Organic Synthesis and Reactions, Computational Chemistry and Modeling, Machine Learning, Artificial Intelligence, Chemoinformatics - Computational Chemistry, reaction prediction, retrosynthetic methods, SMILES strings, Information theory, Computer Aided Synthesis Planning, sequence to sequence (Seq2Seq)

Relation: https://figshare.com/articles/preprint/Retrosynthesis_Prediction_using_Grammar-based_Neural_Machine_Translation_An_Information-Theoretic_Approach/14410442

الاتاحة: https://doi.org/10.26434/chemrxiv.14410442.v1

المؤلفون: Karpov, P., Godin, G., Tetko, I.V.

المصدر: Lect. Notes Comput. Sc. 11731 LNCS, 817-830 (2019)

مصطلحات موضوعية: Character-based Models, Computer Aided Synthesis Planning, Retrosynthesis Prediction, Transformer

وصف الملف: application/pdf

Relation: info:eu-repo/semantics/altIdentifier/isbn/0302-9743; info:eu-repo/semantics/altIdentifier/pissn/0302-9743; info:eu-repo/semantics/altIdentifier/eissn/1611-3349; https://push-zb.helmholtz-muenchen.de/frontdoor.php?source_opus=57113; urn:isbn:0302-9743; urn:issn:0302-9743; urn:issn:1611-3349

الاتاحة: https://push-zb.helmholtz-muenchen.de/frontdoor.php?source_opus=57113
https://doi.org/10.1007/978-3-030-30493-5_78

المؤلفون: Yang Zhou, Zeyu Wang, Mao Chen

المصدر: Chinese Journal of Chemistry. 40:285-296

مصطلحات موضوعية: Computer aided synthesis, chemistry.chemical_classification, chemistry, business.industry, Continuous flow, Computer-aided, Living polymerization, General Chemistry, Polymer, Flow chemistry, Process engineering, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::e9e350d664fc3b1ae404df64f7bc9c25
https://doi.org/10.1002/cjoc.202100544

المؤلفون: Martyna Moskal, Wiktor Beker, Bartosz A. Grzybowski, Sara Szymkuć

المصدر: Angewandte Chemie International Edition. 60:15230-15235

مصطلحات موضوعية: chemistry.chemical_classification, Scaffold, business.industry, Computer science, General Medicine, General Chemistry, Machine learning, computer.software_genre, Catalysis, Computer aided synthesis, chemistry, Face (geometry), Non-covalent interactions, Artificial intelligence, Representation (mathematics), business, computer

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d34ef88f56ad928080279d56ad5bc16
https://doi.org/10.1002/anie.202101986

المؤلفون: Nathan J. Gesmundo, Anil Vasudevan, Andrew Bogdan, Matthew P. Webster, Ying Wang

المصدر: Burger's Medicinal Chemistry and Drug Discovery

مصطلحات موضوعية: Computer aided synthesis, Chemistry, Nanotechnology, Chemistry (relationship), Flow chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::9ca2eb051b1c586d48048a4ed31c0885
https://doi.org/10.1002/0471266949.bmc293

المؤلفون: Simon Johansson, Jean-Louis Reymond, Ola Engkvist, Amol Thakkar, David Buttar, Kjell Jorner

المصدر: Reaction Chemistry & Engineering. 6:27-51

مصطلحات موضوعية: Fluid Flow and Transfer Processes, 010405 organic chemistry, business.industry, Process Chemistry and Technology, Physics based, 010402 general chemistry, 01 natural sciences, Automation, Catalysis, 0104 chemical sciences, Data-driven, Computer aided synthesis, Workflow, Chemistry (miscellaneous), Key (cryptography), Chemical Engineering (miscellaneous), Artificial intelligence, business, CASP

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::73f6d0c2731e992d1d97ed3cdfa82672
https://doi.org/10.1039/d0re00340a

المؤلفون: Baoan Song, Wei Zhao, Zheng Wang, Gefei Hao

المصدر: Organic Chemistry Frontiers. 8:812-824

مصطلحات موضوعية: 010405 organic chemistry, business.industry, Chemistry, Organic Chemistry, Big data, Industrial chemistry, 010402 general chemistry, 01 natural sciences, Data science, 0104 chemical sciences, Computer aided synthesis, Research environment, Research questions, CASP, business

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::00834802a3f507eab2f4278823bd2010
https://doi.org/10.1039/d0qo00946f

المؤلفون: Swapana S. Jerpoth, Emmanuel A. Aboagye, Kirti M. Yenkie, Joseph Iannello

المصدر: Clean Technologies and Environmental Policy. 22:1187-1198

مصطلحات موضوعية: Economics and Econometrics, Environmental Engineering, Optimization problem, Materials science, Silicon, business.industry, Solar cell fabrication, 020209 energy, chemistry.chemical_element, 02 engineering and technology, 010501 environmental sciences, Management, Monitoring, Policy and Law, 01 natural sciences, General Business, Management and Accounting, Engineering physics, Computer aided synthesis, Crystal, chemistry, Photovoltaics, 0202 electrical engineering, electronic engineering, information engineering, Environmental Chemistry, business, Solar power, 0105 earth and related environmental sciences, Perovskite (structure)

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ee3bf6a4bd880c0cf959b5b8d26488b1
https://doi.org/10.1007/s10098-020-01861-8

المؤلفون: Ishida, Shoichi

المساهمون: 高須, 清誠, 石濱, 泰, 大野, 浩章

مصطلحات موضوعية: monte-carlo tree search, graph convolutional networks, retrosynthetic analysis, computer-aided synthesis planning, artificial intelligence

وصف الملف: application/pdf

URL الوصول: https://explore.openaire.eu/search/publication?articleId=jairo_______::a62d7de1ddf2942e38d80cf718ba38b0
http://hdl.handle.net/2433/263605

المؤلفون: Jensen, Rune Møller

المصدر: Jensen , R M 2003 , DES Controller Synthesis and Fault Tolerant Control . vol. TR-2003-40 , IT University of Copenhagen .

مصطلحات موضوعية: Computer-aided synthesis, Discrete event systems, Supervisory control, Symbolic synthesis, Fault-tolerant control

وصف الملف: application/pdf

Relation: https://pure.itu.dk/portal/da/publications/befe32b2-2bb4-41b2-b9c8-97b91e4dafe9; urn:ISBN: 8779490549

الاتاحة: https://pure.itu.dk/portal/da/publications/befe32b2-2bb4-41b2-b9c8-97b91e4dafe9
https://pure.itu.dk/ws/files/90829838/ITU_TR_2003_40.pdf