Log InRegister
Quick Links : The Mindat ManualThe Rock H. Currier Digital LibraryMindat Newsletter [Free Download]
Home PageAbout MindatThe Mindat ManualHistory of MindatCopyright StatusWho We AreContact UsAdvertise on Mindat
Donate to MindatCorporate SponsorshipSponsor a PageSponsored PagesMindat AdvertisersAdvertise on Mindat
Learning CenterWhat is a mineral?The most common minerals on earthInformation for EducatorsMindat ArticlesThe ElementsThe Rock H. Currier Digital LibraryGeologic Time
Minerals by PropertiesMinerals by ChemistryMineral Visual ExplorerAdvanced Locality SearchRandom MineralRandom LocalitySearch by minIDLocalities Near MeSearch ArticlesSearch GlossaryMore Search Options
Search For:
Mineral Name:
Locality Name:
Keyword(s):
 
The Mindat ManualAdd a New PhotoRate PhotosLocality Edit ReportCoordinate Completion ReportAdd Glossary Item
Mining CompaniesStatisticsUsersMineral MuseumsClubs & OrganizationsMineral Shows & EventsThe Mindat DirectoryDevice SettingsThe Mineral QuizTime Machine
Photo SearchPhoto GalleriesSearch by ColorPhoto Colour ExplorerNew Photos TodayNew Photos YesterdayMembers' Photo GalleriesPast Photo of the Day GalleryPhotography

Wang, Qiqi; Sun, Boyan; Yi, Yunpeng; Velkov, Tony; Shen, Jianzhong; Dai, Chongshan; Jiang, Haiyang (2025) Progress of AI-Driven Drug–Target Interaction Prediction and Lead Optimization. International Journal of Molecular Sciences, 26 (20). doi:10.3390/ijms262010037

Advanced
   -   Only viewable:
Reference TypeJournal (article/letter/editorial)
TitleProgress of AI-Driven Drug–Target Interaction Prediction and Lead Optimization
JournalInternational Journal of Molecular Sciences
AuthorsWang, QiqiAuthor
Sun, BoyanAuthor
Yi, YunpengAuthor
Velkov, TonyAuthor
Shen, JianzhongAuthor
Dai, ChongshanAuthor
Jiang, HaiyangAuthor
Year2025 (October 15)Volume26
Issue20
PublisherMDPI AG
DOIdoi:10.3390/ijms262010037Search in ResearchGate
Generate Citation Formats
Mindat Ref. ID19086782Long-form Identifiermindat:1:5:19086782:1
GUID0
Full ReferenceWang, Qiqi; Sun, Boyan; Yi, Yunpeng; Velkov, Tony; Shen, Jianzhong; Dai, Chongshan; Jiang, Haiyang (2025) Progress of AI-Driven Drug–Target Interaction Prediction and Lead Optimization. International Journal of Molecular Sciences, 26 (20). doi:10.3390/ijms262010037
Plain TextWang, Qiqi; Sun, Boyan; Yi, Yunpeng; Velkov, Tony; Shen, Jianzhong; Dai, Chongshan; Jiang, Haiyang (2025) Progress of AI-Driven Drug–Target Interaction Prediction and Lead Optimization. International Journal of Molecular Sciences, 26 (20). doi:10.3390/ijms262010037
In(2025, October) International Journal of Molecular Sciences Vol. 26 (20). MDPI AG

References Listed

These are the references the publisher has listed as being connected to the article. Please check the article itself for the full list of references which may differ. Not all references are currently linkable within the Digital Library.

Not Yet Imported: - journal-article : 10.1016/j.eswa.2022.116825

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1001/jama.2020.1166

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/nrd.2016.184

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/d41573-019-00074-z

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/nrd.2016.85

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.apsb.2022.02.002

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Biotechnology Innovation Organization, Informa Pharma Intelligence, and Quantitative Life Sciences Advisors (2025, February 20). Clinical Development Success Rates and Contributing Factors 2011–2020. Available online: https://www.bio.org/clinical-development-success-rates-and-contributing-factors-2011-2020.
Not Yet Imported: - journal-article : 10.1002/bmc.4908

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Souza, A.S., Amorim, V.M.F., Soares, E.P., de Souza, R.F., and Guzzo, C.R. (2025). Antagonistic Trends Between Binding Affinity and Drug-Likeness in SARS-CoV-2 Mpro Inhibitors Revealed by Machine Learning. Viruses, 17.
Not Yet Imported: Trends in Pharmacological Sciences - journal-article : 10.1016/j.tips.2023.06.010

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1186/s12864-021-07659-2

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.tips.2021.11.004

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Pharmacological Research - journal-article : 10.1016/j.phrs.2023.106830

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1002/advs.202307245

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1186/s13321-023-00771-3

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Journal of Medicinal Chemistry - journal-article : 10.1021/acs.jmedchem.9b02120

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Ye (2024) Innovation Organic crystal structure prediction via coupled generative adversarial networks and graph convolutional networks 5, 100562
Not Yet Imported: - journal-article : 10.1038/s41587-024-02143-0

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
(2024, December 16). Nobel Prize in Chemistry 2024. Available online: https://www.nature.com/collections/edjcfdihdi.
Not Yet Imported: Nature Reviews Drug Discovery - journal-article : 10.1038/s41573-023-00688-4

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/s42256-022-00534-z

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acsomega.3c02152

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Recursion (2025, February 20). Recursion’s Drug Pipeline. Available online: https://www.recursion.com/pipeline.
Insilico Medicine (2025, February 20). Insilico Medicine’s Drug Pipeline. Available online: https://insilico.com/.
Relay Therapeutics (2025, February 20). Relay Therapeutics’s Drug Pipeline. Available online: https://relaytx.com/pipeline/.
Exscientia (2025, February 20). Exscientia’s Drug Pipeline. Available online: https://www.exscientia.com/pipeline/.
Signet Therapeutics (2025, February 20). Signet Therapeutics’ Drug Pipeline. Available online: https://www.signettx.com/about/.
BeiGene (2025, February 20). BeiGene’s Drug Pipeline. Available online: https://www.beonemedicines.com.cn/science/pipeline/.
RedCloud Bio (2025, February 20). RedCloud Bio’s Drug Pipeline. Available online: http://www.redcloudbio.com/en/h-col-105.html.
Accutar Biotech (2025, February 20). Accutar Biotech’s Drug Pipeline. Available online: https://www.accutarbio.com/workflow/.
MindRank (2025, February 20). MindRank’s Drug Pipeline. Available online: https://www.mindrank.ai/zh-CN/pipeline.
Drug Farm (2025, February 20). Drug Farm’s Drug Pipeline. Available online: https://www.drug-farm.com/pipeline.
OrphAI Therapeutics (2025, February 20). OrphAI Therapeutics’s Drug Pipline. Available online: https://www.orphai-therapeutics.com/pipeline.
Healx (2025, February 20). Healx’s Drug Pipeline. Available online: https://healx.ai/pipeline/.
BioAge (2025, February 20). BioAge’s Drug Pipeline. Available online: https://bioagelabs.com/apj.
BioXcel Therapeutics (2025, February 20). BioXcel Therapeutics’s Drug Pipeline. Available online: https://www.bioxceltherapeutics.com/our-pipeline/.
Evaxion Biotech (2025, February 20). Evaxion Biotech’s Drug Pipeline. Available online: https://evaxion.ai/pipeline.
Not Yet Imported: - journal-article : 10.1161/CIRCULATIONAHA.115.001593

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.beth.2020.05.002

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.cell.2020.01.021

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Singh, S., Kaur, N., and Gehlot, A. (2024). Application of artificial intelligence in drug design: A review. Comput. Biol. Med., 179.
Not Yet Imported: - journal-article : 10.1002/cmtd.202200005

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1007/s10994-019-05855-6

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1093/bib/bbad102

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Jiang (2024) J. Med. Chem. Synthetically Feasible De Novo Molecular Design of Leads Based on a Reinforcement Learning Model: AI-Assisted Discovery of an Anti-IBD Lead Targeting CXCR4 67, 10057
Wang (2025) J. Med. Chem. Thinking on the Use of Artificial Intelligence in Drug Discovery 68, 4996
Not Yet Imported: - journal-article : 10.1016/j.tics.2019.02.006

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Xie (2024) Proc. AAAI Conf. Artif. Intell. Multilevel Attention Network with Semi-supervised Domain Adaptation for Drug-Target Prediction 38, 329
Not Yet Imported: - journal-article : 10.1021/acs.jmedchem.9b02044

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1093/bfgp/elad012

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Shor, B., and Schneidman-Duhovny, D. (2024). DockFormer: Efficient Multi-Modal Receptor-Ligand Interaction Prediction using Pair Transformer. bioRxiv.
Su (2024) Proc. AAAI Conf. Artif. Intell. Dual-Channel Learning Framework for Drug-Drug Interaction Prediction via Relation-Aware Heterogeneous Graph Transformer 38, 249
Not Yet Imported: - journal-article : 10.1016/j.compbiomed.2023.106904

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Wei (2024) Nat. Mach. Intell. TopoFormer: Multiscale Topology-enabled Structure-to-Sequence Transformer for Protein-Ligand Interaction Predictions 6, 799
Not Yet Imported: - journal-article : 10.1093/bib/bbac100

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.3934/mbe.2023195

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.xcrm.2022.100794

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Guimaraes, G.L., Sanchez-Lengeling, B., Outeiral, C., Farias, P.L.C., and Aspuru-Guzik, A. (2017). Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models. arXiv.
Not Yet Imported: - journal-article : 10.1186/s13321-023-00766-0

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acs.jmedchem.2c00732

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Journal of Medicinal Chemistry - journal-article : 10.1021/acs.jmedchem.1c00927

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
DeepSeek-AI, Guo, D., Yang, D., Zhang, H., Song, J.-M., Zhang, R., Xu, R., Zhu, Q., Ma, S., and Wang, P. (2025). DeepSeek-R1: Incentivizing Reasoning Capability in LLMs via Reinforcement Learning. arXiv.
Anthropic, S. (2025, February 20). Model Card Addendum: Claude 3.5 Haiku and Upgraded Claude 3.5 Sonnet. Available online: https://assets.anthropic.com/m/1cd9d098ac3e6467/original/Claude-3-Model-Card-October-Addendum.pdf.
Dubey, A., Jauhri, A., Pandey, A., Kadian, A., Al-Dahle, A., Letman, A., Mathur, A., Schelten, A., Yang, A., and Fan, A. (2024). The Llama 3 Herd of Models. arXiv.
El-Kishky, A., Wei, A., Saraiva, A., Minaev, B., Selsam, D., Dohan, D., Song, F., Lightman, H., Clavera, I., and Pachocki, J.W. (2025). Competitive Programming with Large Reasoning Models. arXiv.
Lin, A., Ye, J., Qi, C., Zhu, L., Mou, W., Gan, W., Zeng, D., Tang, B., Xiao, M., and Chu, G. (2025). Bridging artificial intelligence and biological sciences: A comprehensive review of large language models in bioinformatics. Brief. Bioinform., 26.
Not Yet Imported: Nature Chemical Biology - journal-article : 10.1038/s41589-022-01131-2

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Xu (2025) Nat. Mach. Intell. A unified pre-trained deep learning framework for cross-task reaction performance prediction and synthesis planning 7, 1561
Not Yet Imported: - proceedings-article : 10.1109/CVPR.2016.90

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Briefings in Bioinformatics - journal-article : 10.1093/bib/bbac427

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.artmed.2024.102820

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1162/neco.1997.9.8.1735

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Huang (2024) Nat. Med. A foundation model for clinician-centered drug repurposing 30, 3601
Not Yet Imported: Bioinformatics - journal-article : 10.1093/bioinformatics/btae135

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.sbi.2021.102327

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/s42256-022-00605-1

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Vaswani (2017) Adv. Neural Inf. Process. Syst. Attention is all you need 30, 5998
Radford, A., and Narasimhan, K. (2025, February 15). Improving Language Understanding by Generative Pre-Training. Available online: https://www.semanticscholar.org/paper/Improving-Language-Understanding-by-Generative-Radford-Narasimhan/cd18800a0fe0b668a1cc19f2ec95b5003d0a5035.
Devlin, J., Chang, M.-W., Lee, K., and Toutanova, K. (2019, January 2–7). BERT: Pre-training of Deep Bidirectional Transformers for Language Understanding. Proceedings of the 2019 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies, Volume 1 (Long and Short Papers), Minneapolis, MN, USA.
OpenAi, Achiam, J., Adler, S., Agarwal, S., Ahmad, L., Akkaya, I., Aleman, F.L., Almeida, D., Altenschmidt, J., and Altman, S. (2024). GPT-4 Technical Report. arXiv.
Brown, T.B., Mann, B., Ryder, N., Subbiah, M., Kaplan, J., Dhariwal, P., Neelakantan, A., Shyam, P., Sastry, G., and Askell, A. (2020, January 6–12). Language models are few-shot learners. Proceedings of the 34th International Conference on Neural Information Processing Systems, Vancouver, BC, Canada.
Liu, S., Wang, J., Yang, Y., Wang, C., Liu, L., Guo, H., and Xiao, C. (2023). Chatgpt-powered conversational drug editing using retrieval and domain feedback. arXiv.
Greenblatt (2024) Cell Discovery and significance of protein-protein interactions in health and disease 187, 6501
Not Yet Imported: - posted-content : 10.1101/2021.10.04.463034

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/s41587-022-01466-0

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/s41596-021-00628-9

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Nucleic Acids Research - journal-article : 10.1093/nar/gkab953

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1126/scitranslmed.aag1166

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Journal of Computer-Aided Molecular Design - journal-article : 10.1007/s10822-019-00197-w

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1093/carcin/bgac071

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: PROTEOMICS - journal-article : 10.1002/pmic.202200059

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.3390/ijms22073327

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1182/bloodadvances.2019001346

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/s41419-022-05161-5

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.abb.2021.109085

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.xgen.2022.100190

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Deelen, Joris, Evans, Daniel S., Arking, Dan E., Tesi, Niccolò, Nygaard, Marianne, Liu, Xiaomin, Wojczynski, Mary K., Biggs, Mary L., van der Spek, Ashley, Atzmon, Gil, Ware, Erin B., Sarnowski, Chloé, Smith, Albert V., Seppälä, Ilkka, Cordell, Heather J., Dose, Janina, Amin, Najaf, Arnold, Alice M., Ayers, Kristin L., Barzilai, Nir, Becker, Elizabeth J., Beekman, Marian, Blanché, Hélène, Christensen, Kaare, Christiansen, Lene, Collerton, Joanna C., Cubaynes, Sarah, Cummings, Steven R., Davies, Karen, Debrabant, Birgit, Deleuze, Jean-François, Duncan, Rachel, Faul, Jessica D., Franceschi, Claudio, Galan, Pilar, Gudnason, Vilmundur, Harris, Tamara B., Huisman, Martijn, Hurme, Mikko A., Jagger, Carol, Jansen, Iris, Jylhä, Marja, Kähönen, Mika, Karasik, David, Kardia, Sharon L. R., Kingston, Andrew, Kirkwood, Thomas B. L., Launer, Lenore J., Lehtimäki, Terho, Lieb, Wolfgang, Lyytikäinen, Leo-Pekka, Martin-Ruiz, Carmen, Min, Junxia, Nebel, Almut, Newman, Anne B., Nie, Chao, Nohr, Ellen A., Orwoll, Eric S., Perls, Thomas T., Province, Michael A., Psaty, Bruce M., Raitakari, Olli T., Reinders, Marcel J. T., Robine, Jean-Marie, Rotter, Jerome I., Sebastiani, Paola, Smith, Jennifer, Sørensen, Thorkild I. A., Taylor, Kent D., Uitterlinden, André G., van der Flier, Wiesje, van der Lee, Sven J., van Duijn, Cornelia M., van Heemst, Diana, Vaupel, James W., Weir, David, Ye, Kenny, Zeng, Yi, Zheng, Wanlin, Holstege, Henne, Kiel, Douglas P., Lunetta, Kathryn L., Slagboom, P. Eline, Murabito, Joanne M. (2021) Publisher Correction: A meta-analysis of genome-wide association studies identifies multiple longevity genes. Nature Communications, 12 (1) doi:10.1038/s41467-021-22613-2
Not Yet Imported: - journal-article : 10.1038/s41573-019-0024-5

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acschembio.6b00253

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Drug Discovery Today - journal-article : 10.1016/j.drudis.2007.09.007

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Frontiers in Genetics - journal-article : 10.3389/fgene.2018.00242

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Kang (2025) Nat. Comput. Sci. Comprehensive prediction and analysis of human protein essentiality based on a pretrained large language model 5, 196
Not Yet Imported: Neuron - journal-article : 10.1016/j.neuron.2021.12.019

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Zhou (2025) Nat. Cancer Palmitoylation of GPX4 via the targetable ZDHHC8 determines ferroptosis sensitivity and antitumor immunity 6, 768
Not Yet Imported: - journal-article : 10.1021/acs.jctc.1c00810

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Nature Protocols - journal-article : 10.1038/s41596-021-00659-2

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Hansson (2025) Nat. Commun. Labels as a feature: Network homophily for systematically annotating human GPCR drug-target interactions 16, 4121
Hadipour (2025) Nat. Commun. GraphBAN: An inductive graph-based approach for enhanced prediction of compound-protein interactions 16, 2541
Lu (2025) Nat. Commun. DTIAM: A unified framework for predicting drug-target interactions, binding affinities and drug mechanisms 16, 2548
Not Yet Imported: - journal-article : 10.1093/bioinformatics/btae147

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1039/D3DD00149K

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/s41589-023-01349-8

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Guo (2024) Signal Transduct. Target. Ther. A deep learning-driven discovery of berberine derivatives as novel antibacterial against multidrug-resistant Helicobacter pylori 9, 183
Feng (2024) Nat. Mach. Intell. A bioactivity foundation model using pairwise meta-learning 6, 962
Duan (2024) J. Med. Chem. Enhancing Molecular Property Prediction through Task-Oriented Transfer Learning: Integrating Universal Structural Insights and Domain-Specific Knowledge 67, 9575
Not Yet Imported: Briefings in Bioinformatics - journal-article : 10.1093/bib/bbac408

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Ahmad, W., Simon, E., Chithrananda, S., Grand, G., and Ramsundar, B. (2022). Chemberta-2: Towards chemical foundation models. arXiv.
Not Yet Imported: - posted-content : 10.26434/chemrxiv-2022-jjm0j-v4

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/s42256-022-00580-7

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1007/s10822-013-9672-4

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1038/s41573-023-00832-0

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acs.jctc.1c00194

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Schneuing (2024) Nat. Comput. Sci. Structure-based drug design with equivariant diffusion models 4, 899
Li (2024) Nat. Comput. Sci. A deep learning approach for rational ligand generation with toxicity control via reactive building blocks 4, 851
Not Yet Imported: - journal-article : 10.1038/s42256-022-00448-w

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Nature Machine Intelligence - journal-article : 10.1038/s42256-024-00809-7

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Nature Machine Intelligence - journal-article : 10.1038/s42256-021-00368-1

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Current Opinion in Structural Biology - journal-article : 10.1016/j.sbi.2023.102527

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Tong (2024) Nat. Commun. Deep representation learning of chemical-induced transcriptional profile for phenotype-based drug discovery 15, 5378
Not Yet Imported: - journal-article : 10.1039/D2DD00115B

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1186/s13321-021-00565-5

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1186/s13321-020-00441-8

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1186/s13321-023-00694-z

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1186/s13321-024-00812-5

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1186/s13321-023-00732-w

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Cong (2025) Patterns Graph-sequence enhanced transformer for template-free prediction of natural product biosynthesis 6, 101259
Not Yet Imported: JACS Au - journal-article : 10.1021/jacsau.1c00246

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Neurocomputing - journal-article : 10.1016/j.neucom.2021.06.037

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acs.jmedchem.3c01083

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: ACS Omega - journal-article : 10.1021/acsomega.3c04073

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Komissarov (2024) Mol. Pharm. Actionable Predictions of Human Pharmacokinetics at the Drug Design Stage 21, 4356
Swanson, K., Walther, P., Leitz, J., Mukherjee, S., Wu, J.C., Shivnaraine, R.V., and Zou, J. (2024). ADMET-AI: A machine learning ADMET platform for evaluation of large-scale chemical libraries. Bioinformatics, 40.
Not Yet Imported: - journal-article : 10.1093/nar/gkae236

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acs.jmedchem.5b00104

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: Frontiers in Pharmacology - journal-article : 10.3389/fphar.2017.00889

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1093/bib/bbae008

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Zhang (2025) Nat. Med. Artificial intelligence in drug development 31, 45
Not Yet Imported: ACM Computing Surveys - journal-article : 10.1145/3571730

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1021/acs.jctc.2c01235

If you would like this item imported into the Digital Library, please contact us quoting Journal ID
Not Yet Imported: - journal-article : 10.1016/j.ddtec.2021.08.001

If you would like this item imported into the Digital Library, please contact us quoting Journal ID


See Also

These are possibly similar items as determined by title/reference text matching only.

 
and/or  
Mindat.org® is an outreach project of the Hudson Institute of Mineralogy, a 501(c)(3) not-for-profit organization. Mindat® and mindat.org® are registered trademarks of the Hudson Institute of Mineralogy.
Copyright © mindat.org and the Hudson Institute of Mineralogy 1993-2026, except where stated. Most political location boundaries are © OpenStreetMap contributors. Mindat.org relies on the contributions of thousands of members and supporters. Founded in 2000 by Jolyon Ralph and Ida Chau.
To cite: Ralph, J., Von Bargen, D., Martynov, P., Zhang, J., Que, X., Prabhu, A., Morrison, S. M., Li, W., Chen, W., & Ma, X. (2025). Mindat.org: The open access mineralogy database to accelerate data-intensive geoscience research. American Mineralogist, 110(6), 833–844. doi:10.2138/am-2024-9486.
Privacy Policy - Terms & Conditions - Contact Us / DMCA issues - Report a bug/vulnerability Current server date and time: June 5, 2026 05:03:29
Go to top of page