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Biorxiv : the Preprint Server for Biology
|
June 12, 2025
Neural Spectral Prediction for Structure Elucidation with Tandem Mass Spectrometry
Runzhong Wang, Mrunali Manjrekar, Babak Mahjour, et al.
Journal of Chemical Information and Modeling
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December 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction
David E Graff, Nathan K Morgan, Jackson W Burns, et al.
Nature Chemical Biology
|
November 3, 2023
DNA-encoded library-enabled discovery of proximity-inducing small molecules
Jeremy W Mason, Yuen Ting Chow, Liam Hudson, et al.
Accounts of Chemical Research
|
May 21, 2025
ASKCOS: Open-Source, Data-Driven Synthesis Planning
Zhengkai Tu, Sourabh J Choure, Mun Hong Fong, et al.
Science (New York, N.Y.)
|
August 10, 2019
A robotic platform for flow synthesis of organic compounds informed by AI planning
Connor W Coley, Dale A Thomas, Justin A M Lummiss, et al.
Biorxiv : the Preprint Server for Biology
|
February 20, 2025
Identification of Antituberculars with Favorable Potency and Pharmacokinetics through Structure-Based and Ligand-Based Modeling
Vedang Warapande, Fanwang Meng, Alexandra Bozan, et al.
Nature
|
August 2, 2023
Scientific discovery in the age of artificial intelligence
Hanchen Wang, Tianfan Fu, Yuanqi Du, et al.
Nature
|
August 30, 2023
Publisher Correction: Scientific discovery in the age of artificial intelligence
Hanchen Wang, Tianfan Fu, Yuanqi Du, et al.
Journal of Medicinal Chemistry
|
April 4, 2020
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis
Thomas J Struble, Juan C Alvarez, Scott P Brown, et al.
Iscience
|
August 22, 2020
The Future of Scientific Leadership is Interdisciplinary: The 2019 CAS Future Leaders Share Their Vision
Jovana V Milić, Andreas Ehnbom, Mahlet Garedew, et al.
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of 12
Search research articles
Search
Showing results (101-110 of 113) with videos related to
Sort By:
Page
of 12
Biorxiv : the Preprint Server for Biology
|
June 12, 2025
Neural Spectral Prediction for Structure Elucidation with Tandem Mass Spectrometry
Runzhong Wang, Mrunali Manjrekar, Babak Mahjour, et al.
Journal of Chemical Information and Modeling
|
December 26, 2025
Chemprop v2: An Efficient, Modular Machine Learning Package for Chemical Property Prediction
David E Graff, Nathan K Morgan, Jackson W Burns, et al.
Nature Chemical Biology
|
November 3, 2023
DNA-encoded library-enabled discovery of proximity-inducing small molecules
Jeremy W Mason, Yuen Ting Chow, Liam Hudson, et al.
Accounts of Chemical Research
|
May 21, 2025
ASKCOS: Open-Source, Data-Driven Synthesis Planning
Zhengkai Tu, Sourabh J Choure, Mun Hong Fong, et al.
Science (New York, N.Y.)
|
August 10, 2019
A robotic platform for flow synthesis of organic compounds informed by AI planning
Connor W Coley, Dale A Thomas, Justin A M Lummiss, et al.
Biorxiv : the Preprint Server for Biology
|
February 20, 2025
Identification of Antituberculars with Favorable Potency and Pharmacokinetics through Structure-Based and Ligand-Based Modeling
Vedang Warapande, Fanwang Meng, Alexandra Bozan, et al.
Nature
|
August 2, 2023
Scientific discovery in the age of artificial intelligence
Hanchen Wang, Tianfan Fu, Yuanqi Du, et al.
Nature
|
August 30, 2023
Publisher Correction: Scientific discovery in the age of artificial intelligence
Hanchen Wang, Tianfan Fu, Yuanqi Du, et al.
Journal of Medicinal Chemistry
|
April 4, 2020
Current and Future Roles of Artificial Intelligence in Medicinal Chemistry Synthesis
Thomas J Struble, Juan C Alvarez, Scott P Brown, et al.
Iscience
|
August 22, 2020
The Future of Scientific Leadership is Interdisciplinary: The 2019 CAS Future Leaders Share Their Vision
Jovana V Milić, Andreas Ehnbom, Mahlet Garedew, et al.
Page
of 12