A Pareto Algorithm for Efficient De Novo Design of Multi‐functional Molecules-Reference-Cited by-同舟云学术

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A Pareto Algorithm for Efficient De Novo Design of Multi‐functional Molecules

Published:2016-07-21 Issue:1-2 Volume:36 Page:1600044
ISSN:1868-1743
Container-title:Molecular Informatics
language:en
Short-container-title:Mol. Inf.

Author:

Daeyaert Frits¹²,Deem Micheal W.²

Affiliation:

1. FD Computing Stijn Streuvelsstraat 64 2340 Beerse Belgium

2. Department of Bioengineering Rice University 6100 Main Street Houston, TX USA

Funder

U.S. Department of Energy

Basic Energy Sciences

Publisher

Wiley

Subject

Organic Chemistry,Computer Science Applications,Drug Discovery,Molecular Medicine,Structural Biology

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/minf.201600044

Reference47 articles.

1. Enabling future drug discovery by de novo design

2. Perspectives and potential applications of nanomedicine in breast and prostate cancer

3. Evolutionary algorithms for de novo drug design – A survey

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1. Enhancing SILCS-MC via GPU Acceleration and Ligand Conformational Optimization with Genetic and Parallel Tempering Algorithms;The Journal of Physical Chemistry B;2024-07-20

2. De novo drug design through artificial intelligence: an introduction;Frontiers in Hematology;2024-01-25

3. Multi-and many-objective optimization: present and future in de novo drug design;Frontiers in Chemistry;2023-12-18

4. Computer-aided multi-objective optimization in small molecule discovery;Patterns;2023-02

5. De Novo Design of Organic Structure Directing Agents for the Synthesis of Zeolites;AI‐Guided Design and Property Prediction for Zeolites and Nanoporous Materials;2023-01-24

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