Tuesday, July 16, 2019

Planned papers for 2019 - six months in

In January I wrote about the papers I plan to publish in 2019 and made this list:

1. Graph-based Genetic Algorithm and Generative Model/Monte Carlo Tree Search for the Exploration of Chemical Space

2. Screening for energy storage capacity of meta-stable vinylheptafulvenes
3. Testing algorithms for finding the global minimum of drug-like compounds
4. Towards a barrier height benchmark set for biologically relevant systems - part 2
5. SMILES-based genetic algorithms for chemical space exploration

6. Further screening of bicyclo[2.2.2]octane-based molecular insulators
7. Screening for electronic properties using a graph-based genetic algorithm
8. Further screening for energy storage capacity of meta-stable vinylheptafulvenes

Six months later the status is:


Probably submitted in 2019
While we could certainly have gotten this version published, we decided to write an even better paper were we screen all 200 billion molecules and make an even better ML-learning model. We're almost done with the additional calculations.

5. SMILES-based genetic algorithms for chemical space exploration
The calculations are basically done (here, here, and here) and I just started working on the paper now.

3. Testing algorithms for finding the global minimum of drug-like compounds
The coding is basically done and I started generating data for a paper, but then decided on working on paper 5. This paper is next.

I think that'll be it for 2019. I went on to the 2nd round for a research center application and had to write a big proposal, so I got behind on paper writing in the Spring. I also decided to spend more time on making excuses :).

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