TY  - JOUR

T1  - Lead optimization using matched molecular pairs: Inclusion of contextual information for enhanced prediction of hERG inhibition, solubility, and lipophilicity

JO  - Journal of Chemical Information and Modeling

UR  - http://eprints.whiterose.ac.uk/43054/

PY  - 2010/09/28

AU  - Papadatos G

AU  - Alkarouri M

AU  - Gillet VJ

AU  - Willett P

AU  - Kadirkamanathan V

AU  - Luscombe CN

AU  - Bravi G

AU  - Richmond NJ

AU  - Pickett SD

AU  - Hussain J

AU  - Pritchard JM et al

ED  - 

DO  - DOI: 10.1021/ci100258p

VL  - 50

IS  - 10

SP  - 1872

EP  - 1886

Y2  - 2024/12/22

ER  -