-
[MYOS_samples_210723.xlsx](https://github.com/OpenSourceMycetoma/Series-2-Aminothiazoles/files/12749777/MYOS_samples_210723.xlsx)
Hello everyone,
These are the analogues that were synthesized over t…
-
In a recent import of CHEBI into the Gene Ontology, a diff report showed several unexpected new inferences involving lipid metabolic processes. that we have not seen in the past:
Added
• fumarate …
-
Hello, I encountered an error when calling the following code, it seems that there is no ```contourplots``` model, could I ask you how to solve it? Thanks for your help. Wish you a good day.
The co…
-
-
The following 9 compounds have just been sent to Sue Charman's lab at Monash University for evaluation of their metabolic and physical chemical properties, namely human liver microsome clearance/half-…
-
Hi @allanleal!
I'm opening this issue because we have been facing some difficulties combining the E-UNIQUAC model with Fugacity models for gas phases even for simple systems and for "mild" temperat…
-
Hi,
I am curious about the GCNlearner node,
in model.py variable default is "sample_chem.singletask.solubility.model"
i think that is only for example model not fit with other situation problem?
d…
-
Let's do an RDKIT based example that shows the process of using SageWorks for rapid prototyping.
References:
- https://www.kaggle.com/code/vladislavkisin/tutorial-ml-in-chemistry-research-rdkit-mo…
-
@FuerstT I'm having a hard time finding the original ref for Hawkins solubility: N.L. Hawkins, Report KAPL 863 (1953)
The diffusivity/permeability and dissociation coefficient of Braun uses it.
B…
-
Sue Charman can run in vitro DMPK and solubility on up to 10-15 compounds from Series 4. We need to send 5-7 mg to Monash.
Question therefore: for which of the compounds in the current batch (http://…