競技ドッジボールC級審判講習会、判定会に参加した件

 長男が競技ドッジボールのチームに入り約一年経ちました。 小学生のチームなので6年生が卒業し、また心機一転新しいチームを監督が作っている最中です。今まではもっぱらみているだけだったのですが、ルールを勉強してもいいかと思いC級審判の講習、試験を受けてきました。  講習会は基本各地区で年一回のようで、今回は結構遠方での開催だったの朝7時から車を飛ばして会場に行ってきました。  講習会〜判定会は1日がかりで、前半に座学でルールブックに沿ったルールの講習、筆記試験(100点満点中90点以上で合格)後半は、同日に開催されているジュニアのドッジボール交流会に実際に入って線審、副審、主審などをやります。 筆記は下記のルールブックに従い行われます。意外と複雑。 ↓  筆記はOXのシンプルな構成ですが久しぶりのテストで緊張しますね、、、結果は95点でセーフ。 実技講習はジュニアの試合といえど展開が早く、ライン踏んでないか、アウトになったのか、その他反則してないなど色々見るので大忙し。 応援席で見ている分には気楽ですが、いざ審判やろうと思うと、また視点が変わってきますね。 筆記実技は無事終わったのであとは協会に登録すると晴れてC級審判登録となります。 まさか自分が審判の講習受けるなんてなー

Advertisement

inter and intra reaction handling in RDKit #RDKit

RDKit can handle reaction. Enumeration of many molecules with template reaction and building blocks are useful for library generation. Recently I have a question about how to handle intramolecular reactions with RDKit such as micro cyclization etc. In the case of amidation reaction that is often used for drug synthesis SMARTS query is below. ‘[C:1][C:2](=[O:6])[O:3].[N:4][C:5]>>[C:1][C:2](=[O:6])[N:4][C:5]’Continue reading “inter and intra reaction handling in RDKit #RDKit”

Similar but not similar compounds….

Some months ago I wrote a blog post about biased ligand. It is still exciting area for me. https://iwatobipen.wordpress.com/2018/02/10/rational-design-of-gpcr-biased-ligand/ BYW, the post is about Rexulti developed by Otuka Pharmaceutical. And the drug approved 19th Jan. 2018 in Japan for schizophrenia. Just by looking, Rexulit has very similar structure to Abilify. I interested the patent strategyContinue reading “Similar but not similar compounds….”

An article about strategy for extending half life in vivo

In compound optimization stage, “reduce lipophilicity” is mantra for chemists. High lipophilicity compound tend to be metabolically unstable, promiscuous and binding many off targets. To reduce lipophilicity is important strategy for drug discovery process but it is not always suitable strategy. Researchers from Genentech report their useful experience in JMC lett. You can find theContinue reading “An article about strategy for extending half life in vivo”

RDKit 2018.03.01 release! #rdkit

Dear RDKitter, It’s good news that new version of rdkit is released! You can find details in original repository. https://github.com/rdkit There are many improvement and bug fixes in the release. I appreciate developers work! Recent version of RDKit has lots of 3D descriptors. PMI/NPR. https://pubs.acs.org/doi/abs/10.1021/jp004042l?journalCode=jpcafh And new version of rdkit has new function “ComputePrincipalAxesAndMoments” thatContinue reading “RDKit 2018.03.01 release! #rdkit”

New metrics for de novo designed molecules

Recently there are lots of articles about de novo design of molecules using deep learning. And each article use own metrics for generated molecules. Mainly used metrics is percentage of valid molecules, distribution of phys-chem prop and molecular diversity based on fingerprint. Following article describes new method for generative models for molecules. https://arxiv.org/abs/1803.09518 The authorsContinue reading “New metrics for de novo designed molecules”

Novel interaction FP for CADD #chemoinfo

I am not familiar with CADD such as Docking, MD and ab initio calculation but interested in. Recently I read novel interaction FP between protein and ligand reported in Journal of chemoinformatics. It shows good performance. URL is below. https://jcheminf.springeropen.com/track/pdf/10.1186/s13321-018-0264-0 The author propose novel FP protein per atom score contributions derived interaction fingerprint (PADIF) basedContinue reading “Novel interaction FP for CADD #chemoinfo”

Install indigo tool kit to OSX and make python wrapper #Indigo #chemoinfo

I am not familiar with Indigo TK. I only have used Indigo TK via Knime. Indigo TK provides python wrapper, so if I can build indigo TK from source and python wrapper all task can do only python. ( for me ) That sounds nice. So I tried to install Indigo TK from source. ItContinue reading “Install indigo tool kit to OSX and make python wrapper #Indigo #chemoinfo”

New approach of classification

Yesterday, I found attractive article in arXiv. Attentional Multilabel Learning over Graphs A message passing approach Click to access 1804.00293.pdf I have not fully understood the concept but interesting. The author proposes Graph Attentional Multi-Label learning (GAML). GAML handle Graph structured data as input. You know, molecules are represented as graph in chemoinformatics. So thisContinue reading “New approach of classification”