Author of the publication

CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing.

, , , , , , and . J. Chem. Inf. Model., 59 (6): 2516-2521 (2019)

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Correction: Global reactivity models are impactful in industrial synthesis applications., , , , , , , , and . J. Cheminformatics, 15 (1): 30 (December 2023)Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data., , , , , , and . J. Chem. Inf. Model., 61 (2): 554-559 (2021)ReacLLaMA: Merging chemical and textual information in chemical reactivity AI models., , , and . CoRR, (2024)Assessment of tautomer distribution using the condensed reaction graph approach., , , , , and . J. Comput. Aided Mol. Des., 32 (3): 401-414 (2018)Global reactivity models are impactful in industrial synthesis applications., , , , , , , , and . J. Cheminformatics, 15 (1): 20 (December 2023)QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach., , , , , , , and . J. Chem. Inf. Model., 61 (10): 4913-4923 (2021)Structure-reactivity modeling using mixture-based representation of chemical reactions., , , , , and . J. Comput. Aided Mol. Des., 31 (9): 829-839 (2017)CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing., , , , , , and . J. Chem. Inf. Model., 59 (6): 2516-2521 (2019)Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data Analysis., , , , , and . J. Chem. Inf. Model., 56 (11): 2140-2148 (2016)Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules., , , , , , , and . J. Chem. Inf. Model., 59 (11): 4569-4576 (2019)