@matteoferla Issue is not how obtained. Increased ionization improves metrics like LLE if logD (rather than logP) is used but is likely to compromise permeability and unlikely to improve off-target (e.g. hERG) activity. See "Consider as a thought experime
@katykellett1 @davidlmobley Hopefully they'll stop using metrics as well https://t.co/ajhwUaM31p
@JenniferLoveUBC @dasingleton Glad you liked it and good luck skewering any metrics that should happen to stray into the cross-hairs. While I hate all metrics, I have a special distaste for #LigandEfficiency https://t.co/ajhwUaM31p
@GTsodikova @MedChemComm Sometimes ( https://t.co/XOzjaAuFRp ) although blogging ( https://t.co/xcc42g7OJc) is much more fun
@bonlab @warwickchemsoc @RSC_Education Criticism of #LigandEfficiency #metric is, in essence, that it is thermodynamically meaningless https://t.co/ajhwUaM31p
@Piman314 Kinase inhib assays often run at different [ATP] but all see the same intracellular [ATP]. See comment in https://t.co/DjbFlgbnsN
RT @pwk2013: @AlexFGoldberg @PeONor Considered referring to zero molecular size limit as 'homeopathic limit' in: https://t.co/DjbFlgbnsN
@AlexFGoldberg @PeONor Considered referring to zero molecular size limit as 'homeopathic limit' in: https://t.co/DjbFlgbnsN
@neysanev Can lower #logD by increasing extent of ionization (see #hERG example in https://t.co/DjbFlgbnsN ) so hardly penetrating insight
@heydebigale @sciencegeist @Chemjobber Though necessary, standard state is arbitrary https://t.co/DjbFlgsYkl
@MatToddChem @O_S_M @MedsforMalaria @DNDi If #LigandEfficiency is discussed you might want to look at https://t.co/DjbFlgsYkl
@EvoMRI @Science_Open @openscience I also do post-pub #peerreview in journal articles https://t.co/OHvuIVzm21 https://t.co/DjbFlgbnsN
@curiouswavefn @stuartcantrill @DevilleSy @MCeeP Some bloggers also publish... https://t.co/DjbFlgbnsN https://t.co/OHvuIVzm21
RT @rguha: nice discussion of #ligandefficiency and its issues http://t.co/bJE2bujhmv. Good counterpoint to http://t.co/CebkbL84bd #drugdis…
@curiouswavefn @Chemjobber @Dereklowe @michael_gilman Symptoms of the malaise? https://t.co/OHvuIVzm21 https://t.co/DjbFlgbnsN
@ChemProfCramer @Chemjobber The #LigandEfficiency politburo got into a tangle with units and standard states https://t.co/DjbFlgbnsN
RT @pwk2013: Hopefully not how #FutureTimeChem will turn out https://t.co/m5dwpHji5f https://t.co/DjbFlgbnsN https://t.co/OHvuIVzm21 #Real…
Hopefully not how #FutureTimeChem will turn out https://t.co/m5dwpHji5f https://t.co/DjbFlgbnsN https://t.co/OHvuIVzm21 #RealTimeChem
@curiouswavefn Units. ΔG° is for association & minus sign is taken care of by using Kd instead of Ka. More detail in http://t.co/DjbFlgsYkl
@practically_sci @RealTimeChem You mighty want to look at binding thermodynamics section of http://t.co/DjbFlgsYkl
@marti_sue @neysanev @rguha @curiouswavefn @guangleicui Link between LE and druggability in conclusions of http://t.co/DjbFlgsYkl
@marti_sue Presumably no mention of the frightfully uncouth http://t.co/DjbFlgbnsN ? #LigandEfficiency
@cressetgroup @QuantumTessera @raelawrence1 If considering entropy, be clear about standard state: http://t.co/DjbFlgsYkl #LigandEfficiency
@stuartcantrill @fxcoudert The editors of JCAMD were happy to publish these critiques: http://t.co/DjbFlh2aQZ http://t.co/RIxRkK9zQf
@Impactstory @menzenski I have also expressed my skepticism about value (and validity) of #metrics in print: http://t.co/DjbFlh2aQZ
@V_Saggiomo You might want to consider fraction of neutral form as descriptor? See http://t.co/HhrUAYlJYd and http://t.co/EY3i4naB5U
@potterandy @QuantumTessera Here's the long version: http://t.co/DjbFlgbnsN
@Chemjobber I'm actually waiting to get auto-da-fé-ed for this: http://t.co/DjbFlgbnsN
@Chemjobber I'm actually waiting to get auto-da-fé-ed for this: http://t.co/DjbFlgbnsN
#LigandEfficiency metrics considered harmful is #OpenAccess until Sept 14 #RealTimeChem http://t.co/DjbFlgbnsN …
#LigandEfficiency metrics considered harmful is #OpenAccess until Sept 14 #RealTimeChem http://t.co/DjbFlgbnsN …
Reposting #LigandEfficiency metrics considered harmful because #openaccess for limited time only http://t.co/DjbFlgtwGV
' #LigandEfficiency metrics considered harmful' available #OpenAccess for limited period of 2 months #RealTimeChem http://t.co/DjbFlgtwGV
@skbrahmachari @slamdunkangel Be prepared to question (and challenge) the wisdom of experts http://t.co/DjbFlgtwGV (2 month open access)
' #LigandEfficiency metrics considered harmful' available #OpenAccess for limited period of 2 months #RealTimeChem http://t.co/DjbFlgtwGV
' #LigandEfficiency metrics considered harmful' available #OpenAccess for limited period of 2 months #RealTimeChem http://t.co/DjbFlgtwGV
' #LigandEfficiency metrics considered harmful' available #OpenAccess for limited period of 2 months #RealTimeChem http://t.co/DjbFlgtwGV
' #LigandEfficiency metrics considered harmful' available #OpenAccess for limited period of 2 months #RealTimeChem http://t.co/DjbFlgtwGV
nice discussion of #ligandefficiency and its issues http://t.co/bJE2bujhmv. Good counterpoint to http://t.co/CebkbL84bd #drugdiscovery
@curiouswavefn @geunsmeyer @ACSMedChemLett Some of the featured crystallographers may enjoy http://t.co/DjbFlgtwGV
#LigandEfficiency metrics considered harmful http://t.co/RqMOCEYFvh
#LigandEfficiency metrics considered harmful http://t.co/RqMOCEYFvh
#LigandEfficiency metrics considered harmful http://t.co/RqMOCEYFvh