How to inject molecule in machine learning? Molecular data and descriptors [RU/ENG SUB] 

In this video, we'll take a look at chemoinformatics, see what kind of data is used for machine learning in chemistry, and look at how molecules can be represented for machine learning algorithms.
TG CHANNEL - t.me/deeplearnme
INSTAGRAM - / sqrt_3
Links to useful materials:
VK group dedicated to chemoinformatics - chemoinformatics
1. Data
MOSES - github.com/molecularsets/moses
USPTO - figshare.com/articles/dataset...
MoleculeNet - moleculenet.org/datasets-1
2. Molecular descriptors
SMILES2vec - arxiv.org/pdf/1712.02034.pdf
Pictures with guns - ieee-dataport.org/documents/g...
RDKit descriptors - www.rdkit.org/docs/GettingSta...
Graph representation - towardsdatascience.com/practi...
MUSIC FROM THE CREDITS - ПОВОРОТ ТУДА "ГДЕ ТЫ?" - music.yandex.ru/album/1579821...
00:00 INTRODUCTION
00:35 CHEMOINFORMATICS
01:30 DATA
02:47 MOLECULAR ACTIVITY
04:52 MOLECULAR DESCRIPTORS
09:08 CONCLUSIONS

Наука