Hannah Jemi Patel

DPhil Student in Cheminformatics at University of Oxford. Rower. Arsenal lover. Pizza eater. #winacre

[Hannah Jemi Patel @HannahJemi]

Blog Post on crude way to implement PLIFS using @RDKit_org and PLIP (@ssalentin): https://t.co/YhIJSvJoo3

[Chris Swain @macinchem]

"So long, and thanks for all the SMILES. Dave Weininger, 1952-2016" https://t.co/Y67599wTBB on @LinkedIn

[Oxford University Women's Lightweight Rowing Club @OUWLRC]

The squad inventing a new kind of spinning class #FunUT2 #MissingGoose @goosefitness

[Hannah Jemi Patel @HannahJemi]

@nathanbroon @CompChemKitchen had to leave for dinner with a visiting supervisor but sure we'll meet at a conference again soon!

[Hannah Jemi Patel @HannahJemi]

Great talk today from @nathanbroon at @CompChemKitchen - forgot to get my book signed though! #fangirlproblems

[Hannah Jemi Patel @HannahJemi]

Crystal Fun at @CompChemKitchen today with @ccdc_cambridge #CompChemKitchen

[Hannah Jemi Patel @HannahJemi]

Against all odds we won the novice double sculls! #Tethys #trainingischeating #kingstonregatta @kingstonregatta

[George Papadatos @georgeisyourman]

How we use the #Python stack within the @ChEMBL data, services+science ecosystem: https://t.co/fNglTLV55E @mmmnow @nathanrdedman @mdavies12

[Hannah Jemi Patel @HannahJemi]

@DrJoshuaBox Well thankfully I think we both understood each other in the end!

[Hannah Jemi Patel @HannahJemi]

@DrJoshuaBox ah okay - I got the terminology mixed up!

[Hannah Jemi Patel @HannahJemi]

@DrJoshuaBox... I've found the @RDKit_org factory easy to modify in terms of including certain atoms as part of pharmacophoric features.

[Hannah Jemi Patel @HannahJemi]

@DrJoshuaBox ... so all those atoms would be covered by the feature, so I can count both oxygens as ionisable/ionic.

[Hannah Jemi Patel @HannahJemi]

@DrJoshuaBox An acid is defined as: [C](=[O])-[O;H1,H0&-1] and the feature covers all those atoms.

[Hannah Jemi Patel @HannahJemi]

@DrJoshuaBox all of the smarts are explicit and should refer to functional groups e.g. [#7;+;!$([N+]-[O-])]

[Hannah Jemi Patel @HannahJemi]

@DrJoshuaBox Yes exactly. I modified a feature factory written by a previous student that only includes protein-specific smarts. #ShefChem16

[Hannah Jemi Patel @HannahJemi]

@WendyAnneWarr yes the 5 am starts don't seem very sustainable. But it's very good at getting me out of bed!

[Hannah Jemi Patel @HannahJemi]

@WendyAnneWarr Wow that's amazing! Seriously impressed!

[Hannah Jemi Patel @HannahJemi]

@WendyAnneWarr Haha - currently just for my college but @LinacreBoatClub W1! Having a go at lightweights dev. squad as well for fun :)

[Nathan Brown @nathanbroon]

Great tweeting guys! #ShefChem16 @WendyAnneWarr @baoilleach @mvkrier @dgelemi @GJPvWesten @georgeisyourman @HannahJemi @DrJoshuaBox