In Silico ADMET Traffic Lights as a Tool for the Prioritization of HTS Hits
Mario LobellBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany. [email protected]Martin HendrixBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany,Berthold HinzenBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany,Jörg KeldenichBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany,Heinrich MeierBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany,Carsten SchmeckBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany,Rudolf Schohe-LoopBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany,Tobias WunbergBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany,Alexander HillischBayer HealthCare AG, PH-GDD-EURC-CR, Aprather Weg, 42096 Wuppertal, Germany,
2006en
ABI
Annotatsiya
The need for in silico characterization of HTS hit structures as part of a data-driven hit-selection process is demonstrated. A solution is described in the form of an in silico ADMET traffic light and PhysChem scoring system. This has been extensively validated with in-house data at Bayer, published data, and a collection of launched small-molecule oral drugs.
Hali tarjima qilinmagan
Identifikatorlar
Iqtiboslar va manbalar
2 ta iqtibos0 ta foydalanilgan manba