As I have mentioned in my previous blog, in this blog I will be talking about LightGBM. However, this is not e…
Category: CGBVS/CzeekS, DRAGON/alvaDesc, Machine Learning投稿者: Enzo Kawasaki
Using ChEMBL Structure Pipeline to standardize compound structure data
As I have promised in my previous blog regarding curation of chemogenomics data, this time I will be talking a…
Category: Machine Learning, RDKitSimple tips when performing curation of chemogenomics data
If you are someone who is intending to create predictive models to determine, for example, the probability of …
Category: Machine LearningIn silico target prediction for protein-protein interaction (PPI) small molecule inhibitors using CGBVS
(CGBVSによるPPI小分子阻害剤のin silicoターゲット予測)
This is a poster paper we have presented at the 37th Medicinal Chemistry Symposium held in Hachioji, Tokyo Jap…
Category: CGBVS/CzeekS, DRAGON/alvaDesc, Machine LearningKNIMEを用いてのCGBVS計算を行います（後編）
このブログの前編は次のリンクで拝見できます：KNIMEを用いてのCGBVS計算を行います（前編）。 今回は、KNIME上でCGBVSワークフローとその実行の話をさせていただきます。作業ステップは以下のように分けています。…
Category: CGBVS/CzeekS, DRAGON/alvaDesc