ArticleJournal of medicinal chemistry2020
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis.
Abstract read
In one paragraph
Article in Journal of medicinal chemistry, 2020. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 76 papers.
0numbers the graph read from it
0cells of the map it votes in
76citing papers in PubMed
–field-weighted citation impact
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
76 citing papers in PubMed.
- AI-Driven Synthesis in Medicinal Chemistry: Integrating Large Language Models, Robotic Automation, and Sustainability Metrics to Accelerate Drug Discovery.Medicinal research reviews · 2026Review
- Big Data and Artificial Intelligence in Cancer Drug Discovery: Promise, Challenges, and Emerging Opportunities.Cancers · 2026Review
- Robust out-of-distribution prediction of Buchwald-Hartwig reactions.Nature computational science · 2026Article
- Artificial intelligence in impurity prediction: current landscape, challenges, and future directions.Journal of computer-aided molecular design · 2026Review
- The use of artificial intelligence (AI) in neuropsychiatric drug discovery: current challenges and future directions.Translational psychiatry · 2026Review
- Organic Chemistry as a Catalyst for AI Innovation: Challenges, Methods, and Emerging Paradigms.Chemical reviews · 2026Review
- Machine-Learning-Driven Molecular Design and Structure-Property-Performance Relationships in Pharmaceutical Chemistry.Molecules (Basel, Switzerland) · 2026Review
- Therapeutic peptides and proteins: Status and developments in drug delivery.Journal of controlled release : official journal of the Controlled Release Society · 2026Review
- Early-stage drug discovery in a new-generation ultrahigh-throughput mass spectrometry platform.Proceedings of the National Academy of Sciences of the United States of America · 2026Article
- Encapsulated droplet array for intensified micromole-scale high-throughput reaction screening.Nature communications · 2026Article
- High yield strategies for triterpenoid biosynthesis in cell factories.Journal of microbiology (Seoul, Korea) · 2026Review
- Integrating biocatalysis with continuous flow: current status, challenges, and future perspectives.Journal of advanced research · 2026Review
- Developments and challenges in hit progression within fragment-based drug discovery.Nature communications · 2026Review
- Solvent Sustainability in Drug Discovery: Where Are We Now, and How Can We Improve?Journal of medicinal chemistry · 2025Review
- Homogeneous catalysis in continuous flow integrating photocatalysis, electrocatalysis, and automation technologies.Communications chemistry · 2025Review
- Exploring Artificial Intelligence's Potential to Enhance Conventional Anticancer Drug Development.Drug development research · 2025Review
- Progress of AI-Driven Drug-Target Interaction Prediction and Lead Optimization.International journal of molecular sciences · 2025Review
- Data-driven recommendation of agents, temperature, and equivalence ratios for organic synthesis.Chemical science · 2025Article
- Chemical knowledge-informed framework for privacy-aware retrosynthesis learning.Nature communications · 2025Article
- ASKCOS: Open-Source, Data-Driven Synthesis Planning.Accounts of chemical research · 2025Article
16 more citing papers are in PubMed but not listed here.
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
27 authors.
Thomas J StrubleDepartment of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.ORCID 0000-0003-1695-2367
Juan C AlvarezComputational and Structural Chemistry, Merck & Co. Inc., Kenilworth, New Jersey 07033, United States.ORCID 0000-0003-2031-2135
Scott P BrownSunovion Pharmaceuticals Inc., Marlborough, Massachusetts 01752, United States.ORCID 0000-0003-2797-5409
Milan ChytilSunovion Pharmaceuticals Inc., Marlborough, Massachusetts 01752, United States.ORCID 0000-0001-5280-6741
Justin CisarJanssen Research & Development LLC, Spring House, Pennsylvania 19477, United States.ORCID 0000-0002-8693-9670
Renee L DesJarlaisJanssen Research & Development LLC, Spring House, Pennsylvania 19477, United States.ORCID 0000-0002-6752-2976
Ola EngkvistHit Discovery, Discovery Sciences, R&D, AstraZeneca, 431 83 Mölndal, Sweden.ORCID 0000-0003-4970-6461
Scott A FrankEli Lilly and Company, Indianapolis, Indiana 46285, United States.ORCID 0000-0001-6680-9695
Daniel R GreveLEO Pharma A/S, Industriparken 55, DK-2750 Ballerup, Denmark.ORCID 0000-0001-5790-1131
Daniel J GriffinAmgen Inc., Cambridge, Massachusetts 02141, United States.ORCID 0000-0002-5051-2069
Xinjun HouPfizer Inc., Cambridge, Massachusetts 02139, United States.ORCID 0000-0002-3473-8455
Jeffrey W JohannesMedicinal Chemistry, Early Oncology, Oncology R&D, AstraZeneca, Boston, Massachusetts 02451, United States.ORCID 0000-0001-7242-6682
Constantine KreatsoulasGlaxoSmithKline, Collegeville, Pennsylvania 19426, United States.ORCID 0000-0002-3654-8209
Brian LahueComputational and Structural Chemistry, Merck & Co. Inc., Kenilworth, New Jersey 07033, United States.ORCID 0000-0002-5399-3603
Miriam MatheaBASF SE, Carl-Bosch-Strasse 38, 67056 Ludwigshafen am Rhein, Germany.ORCID 0000-0002-3214-1487
Georg MogkBayer GmbH, D-51368 Leverkusen, Germany.ORCID 0000-0002-3553-5625
Christos A NicolaouEli Lilly and Company, Indianapolis, Indiana 46285, United States.ORCID 0000-0002-1466-6992
Andrew D PalmerBASF SE, Carl-Bosch-Strasse 38, 67056 Ludwigshafen am Rhein, Germany.ORCID 0000-0003-3863-8491
Daniel J PriceGlaxoSmithKline, Collegeville, Pennsylvania 19426, United States.ORCID 0000-0001-7436-0883
Richard I RobinsonNovartis Institutes for BioMedical Research, Cambridge, Massachusetts 02139, United States.ORCID 0000-0002-7209-3424
Sebastian SalentinBASF SE, Carl-Bosch-Strasse 38, 67056 Ludwigshafen am Rhein, Germany.ORCID 0000-0003-0662-2209
Li XingWuXi AppTec, Cambridge, Massachusetts 02142, United States.ORCID 0000-0002-9056-7996
Tommi JaakkolaComputer Science and Artificial Intelligence Laboratory, MIT, Cambridge, Massachusetts 02139, United States.ORCID 0000-0002-2199-0379
William H GreenDepartment of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.ORCID 0000-0003-2603-9694
Regina BarzilayComputer Science and Artificial Intelligence Laboratory, MIT, Cambridge, Massachusetts 02139, United States.ORCID 0000-0002-2921-8201
Connor W ColeyDepartment of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.ORCID 0000-0002-8271-8723
Klavs F JensenDepartment of Chemical Engineering, MIT, Cambridge, Massachusetts 02139, United States.ORCID 0000-0001-7192-580X
Funding
No grant is acknowledged in the PubMed record.
Abstract
Artificial intelligence and machine learning have demonstrated their potential role in predictive chemistry and synthetic planning of small molecules; there are at least a few reports of companies employing
Indexed as
Machine LearningChemical IndustryChemistry, PharmaceuticalChemistry Techniques, SyntheticDrug DiscoveryModels, ChemicalPharmaceutical Research
Identifiers
What OpenQuestion holds
Textmetadata
Read underepoch 390
Registered trials
None linked
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.