Transformer-Based Representation of Organic Molecules for Potential Modeling of Physicochemical Properties-Reference-Cited by-同舟云学术

Transformer-Based Representation of Organic Molecules for Potential Modeling of Physicochemical Properties

Published:2023-12-07 Issue:24 Volume:63 Page:7676-7688
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Pérez-Correa Ignacio¹^ORCID,Giunta Pablo D.¹,Mariño Fernando J.¹,Francesconi Javier A.²

Affiliation:

1. Instituto de Tecnologías del Hidrógeno y Energías Sostenibles (ITHES), UBA-CONICET, Ciudad Universitaria, Intendente Güiraldes 2160, Ciudad de Buenos Aires C1428EGA, Argentina

2. Centro de Investigación y Desarrollo en Tecnología de Alimentos (CIDTA), UTN-FRRo, Estanislao Zeballos 1341, Rosario S2000BQA, Argentina

Funder

Consejo Nacional de Investigaciones Cient?ficas y T?cnicas

Secretaria de Ciencia y Tecnica, Universidad de Buenos Aires

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01548

Reference94 articles.

1. Thermodynamic modeling and rational design of ionic liquids for pre-combustion carbon capture

2. Optimal molecular design of working fluids for sustainable low-temperature energy recovery

3. CAMD for entrainer screening of extractive distillation process based on new thermodynamic criteria

4. Application of Adsorbate Solid Solution Theory To Design Novel Adsorbents for Arsenic Removal Using CAMD

5. Turning deep-eutectic solvents into value-added products for CO2 capture: A desirability-based virtual screening study

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