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Impact of stereospecific intramolecular hydrogen bonding on cell permeability and physicochemical properties.Predicting pKa values from EEM atomic charges.How Does the Methodology of 3D Structure Preparation Influence the Quality of pKa Prediction?In silico ADME/T modelling for rational drug design.Multi-task learning for pKa prediction.In silico pKa prediction.Opioid receptor signaling, analgesic and side effects induced by a computationally designed pH-dependent agonist.
P2860
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P2860
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on June 2011
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Predicting the pKa of small molecule.
@en
Predicting the pKa of small molecule.
@nl
type
label
Predicting the pKa of small molecule.
@en
Predicting the pKa of small molecule.
@nl
altLabel
Predicting the pKa of Small Molecules
@en
prefLabel
Predicting the pKa of small molecule.
@en
Predicting the pKa of small molecule.
@nl
P1476
Predicting the pKa of small molecule.
@en
P2093
Robert Körner
P304
P356
10.2174/138620711795508403
P577
2011-06-01T00:00:00Z