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

Estimation of the size of drug-like chemical space based on GDB-17 data., , and . J. Comput. Aided Mol. Des., 27 (8): 675-679 (2013)CGRtools: Python Library for Molecule, Reaction, and Condensed Graph of Reaction Processing., , , , , , and . J. Chem. Inf. Model., 59 (6): 2516-2521 (2019)Structure-reactivity modeling using mixture-based representation of chemical reactions., , , , , and . J. Comput. Aided Mol. Des., 31 (9): 829-839 (2017)Assessment of tautomer distribution using the condensed reaction graph approach., , , , , and . J. Comput. Aided Mol. Des., 32 (3): 401-414 (2018)QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach., , , , , , , and . J. Chem. Inf. Model., 61 (10): 4913-4923 (2021)Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts., , , , and . J. Chem. Inf. Model., 63 (21): 6629-6641 (November 2023)Hydration of copper(II) amino acids complexes., , , , and . J. Comput. Chem., 39 (14): 821-826 (2018)Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data., , , , , , and . J. Chem. Inf. Model., 61 (2): 554-559 (2021)Multi-instance Learning for Structure-Activity Modeling for Molecular Properties., , , , , and . AIST (Supplement), volume 1086 of Communications in Computer and Information Science, page 62-71. Springer, (2019)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)