I was not aware of the RDKit tooling this is really helpful!
Thank you for the very descriptive and useful introduction! Please keep it going - I would be happy to see more
great intro tutorial learning how to import from online databank but the background music is horrible. Easily getting diverted.
I m from Brasil, well done machine learning
Hi. I am learning Conputational chemistry. I hope you will post more videos related to chemistry. Thank you so much for your tutorial.
I totally needed that. thanks
I hope you will upload a lot of videos realted to Chemistry in the future. I am studying computation chemistry. I am using python
Haloo, I have 1milion compounds retrieved from chembl dB. I want to build 3D mol2 structures from each smales and calculate as much as descriptors calculation for ML model. How to do that with RDkit?
Thank you
Great course.
Great video! It's a topic I also intend to tackle on my channel. Thank you for your work! 👍
Super! 👏🏻
Hello , i an excel sheet of compounds and i need to find the aromatic rings in the compound by iterating through compunds. But what is condition to find aromatic rings.
Great tutorial, thank you!
HI! I appreciate your great effort in introducing a tutorial of RDKit. Would it be possible to perform quantum computational studies such as calculation of Fermi energy?
Hey is there any function in Rdkit which can convert the smiles text into the corresponding IUPAC Name or compound name for eg: we know that 'C' is the smiles format of methane so is there any function to which we provide smiles as an input and provide u Methane as an output
Hello sir I am Ph.D in physical chemistry .How will I learn quickly python.
Thanks, great video. I have learned a bit Rdkit as well, but I am not sure if we could use it to analyze the reaction mechanism, like how cool it would be if we could generate an electron pushing arrow image automatically.
Hello Sir, How can I simulate NiO @ZnO
@Stelo555