GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design-Reference-Cited by-同舟云学术

GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design

Published:2023-08-09 Issue:16 Volume:63 Page:5107-5119
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Lamanna Giuseppe¹²^ORCID,Delre Pietro²^ORCID,Marcou Gilles³^ORCID,Saviano Michele⁴^ORCID,Varnek Alexandre³^ORCID,Horvath Dragos³^ORCID,Mangiatordi Giuseppe Felice²^ORCID

Affiliation:

1. Chemistry Department, University of Bari “Aldo Moro”, Via E. Orabona, 4, I-70125 Bari, Italy

2. CNR − Institute of Crystallography, Via Amendola 122/o, 70126 Bari, Italy

3. Laboratoire de Chémoinformatique UMR7140, 4 rue Blaise Pascal, 67000 Strasbourg, France

4. CNR − Institute of Crystallography, Via Vivaldi 43, 81100 Caserta, Italy

Funder

Chiesi Farmaceutici

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.3c00963

Reference50 articles.

1. Chen, Z.; Fang, X.; Hua, Z.; Huang, Y.; Wang, F.; Wu, H.; Wang, H. Helix-MO: Sample-Efficient Molecular Optimization on Scene-Sensitive Latent Space. July 2, 2022. (accessed September 22, 2022).

2. Innovation in the pharmaceutical industry: New estimates of R&D costs

3. The Light and Dark Sides of Virtual Screening: What Is There to Know?

4. Structure-Based Strategies for Drug Design and Discovery

5. In silico methods and tools for drug discovery

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