These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

114 related articles for article (PubMed ID: 38995205)

  • 1. Reproducing Reaction Mechanisms with Machine-Learning Models Trained on a Large-Scale Mechanistic Dataset.
    Joung JF; Fong MH; Roh J; Tu Z; Bradshaw J; Coley CW
    Angew Chem Int Ed Engl; 2024 Oct; 63(43):e202411296. PubMed ID: 38995205
    [TBL] [Abstract][Full Text] [Related]  

  • 2. A large-scale reaction dataset of mechanistic pathways of organic reactions.
    Chen S; Babazade R; Kim T; Han S; Jung Y
    Sci Data; 2024 Aug; 11(1):863. PubMed ID: 39127730
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Learning to predict chemical reactions.
    Kayala MA; Azencott CA; Chen JH; Baldi P
    J Chem Inf Model; 2011 Sep; 51(9):2209-22. PubMed ID: 21819139
    [TBL] [Abstract][Full Text] [Related]  

  • 4. ReactionPredictor: prediction of complex chemical reactions at the mechanistic level using machine learning.
    Kayala MA; Baldi P
    J Chem Inf Model; 2012 Oct; 52(10):2526-40. PubMed ID: 22978639
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Transfer Learning: Making Retrosynthetic Predictions Based on a Small Chemical Reaction Dataset Scale to a New Level.
    Bai R; Zhang C; Wang L; Yao C; Ge J; Duan H
    Molecules; 2020 May; 25(10):. PubMed ID: 32438572
    [TBL] [Abstract][Full Text] [Related]  

  • 6. AutoTemplate: enhancing chemical reaction datasets for machine learning applications in organic chemistry.
    Chen LY; Li YP
    J Cheminform; 2024 Jun; 16(1):74. PubMed ID: 38937840
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Ensemble machine learning model trained on a new synthesized dataset generalizes well for stress prediction using wearable devices.
    Vos G; Trinh K; Sarnyai Z; Rahimi Azghadi M
    J Biomed Inform; 2023 Dec; 148():104556. PubMed ID: 38048895
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Machine learning meets mechanistic modelling for accurate prediction of experimental activation energies.
    Jorner K; Brinck T; Norrby PO; Buttar D
    Chem Sci; 2021 Jan; 12(3):1163-1175. PubMed ID: 36299676
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Deductive machine learning models for product identification.
    Jin T; Zhao Q; Schofield AB; Savoie BM
    Chem Sci; 2024 Jul; 15(30):11995-12005. PubMed ID: 39092129
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Precise atom-to-atom mapping for organic reactions via human-in-the-loop machine learning.
    Chen S; An S; Babazade R; Jung Y
    Nat Commun; 2024 Mar; 15(1):2250. PubMed ID: 38480709
    [TBL] [Abstract][Full Text] [Related]  

  • 11. Design of Experimental Conditions with Machine Learning for Collaborative Organic Synthesis Reactions Using Transition-Metal Catalysts.
    Ebi T; Sen A; Dhital RN; Yamada YMA; Kaneko H
    ACS Omega; 2021 Oct; 6(41):27578-27586. PubMed ID: 34693179
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Approaches for predicting dairy cattle methane emissions: from traditional methods to machine learning.
    Ross S; Wang H; Zheng H; Yan T; Shirali M
    J Anim Sci; 2024 Jan; 102():. PubMed ID: 39123286
    [TBL] [Abstract][Full Text] [Related]  

  • 13. MEMMAL: A tool for expanding large-scale mechanistic models with machine learned associations and big datasets.
    Erdem C; Birtwistle MR
    Front Syst Biol; 2023; 3():. PubMed ID: 38269333
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Quantitative interpretation explains machine learning models for chemical reaction prediction and uncovers bias.
    Kovács DP; McCorkindale W; Lee AA
    Nat Commun; 2021 Mar; 12(1):1695. PubMed ID: 33727552
    [TBL] [Abstract][Full Text] [Related]  

  • 15. Organic and Organometallic Chemistry at the Single-Molecule, -Particle, and -Molecular-Catalyst-Turnover Level by Fluorescence Microscopy.
    Easter QT; Blum SA
    Acc Chem Res; 2019 Aug; 52(8):2244-2255. PubMed ID: 31310095
    [TBL] [Abstract][Full Text] [Related]  

  • 16. No electron left behind: a rule-based expert system to predict chemical reactions and reaction mechanisms.
    Chen JH; Baldi P
    J Chem Inf Model; 2009 Sep; 49(9):2034-43. PubMed ID: 19719121
    [TBL] [Abstract][Full Text] [Related]  

  • 17. Machine-Learning-Guided Discovery of Electrochemical Reactions.
    Zahrt AF; Mo Y; Nandiwale KY; Shprints R; Heid E; Jensen KF
    J Am Chem Soc; 2022 Dec; 144(49):22599-22610. PubMed ID: 36459170
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Molecular Transformer unifies reaction prediction and retrosynthesis across pharma chemical space.
    Lee AA; Yang Q; Sresht V; Bolgar P; Hou X; Klug-McLeod JL; Butler CR
    Chem Commun (Camb); 2019 Oct; 55(81):12152-12155. PubMed ID: 31497831
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Development of an Elementary Reaction-Based Kinetic Model to Predict the Aqueous-Phase Fate of Organic Compounds Induced by Reactive Free Radicals.
    Minakata D
    Acc Chem Res; 2024 Jun; 57(12):1658-1669. PubMed ID: 38804206
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Machine Learning in Computer-Aided Synthesis Planning.
    Coley CW; Green WH; Jensen KF
    Acc Chem Res; 2018 May; 51(5):1281-1289. PubMed ID: 29715002
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 6.