共 31 条
[11]
Hasselbalch K. A., 1917, Biochem. Z, V78, P112
[12]
ADME evaluation in drug discovery. 4. Prediction of aqueous solubility based on atom contribution approach
[J].
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES,
2004, 44 (01)
:266-275
[13]
Huuskonen J, 2001, COMB CHEM HIGH T SCR, V4, P311
[14]
Aqueous solubility prediction of drugs based on molecular topology and neural network modeling
[J].
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES,
1998, 38 (03)
:450-456
[15]
Estimation of aqueous solubility for a diverse set of organic compounds based on molecular topology
[J].
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES,
2000, 40 (03)
:773-777
[19]
ESTIMATION OF AQUEOUS SOLUBILITY OF ORGANIC-MOLECULES BY THE GROUP CONTRIBUTION APPROACH - APPLICATION TO THE STUDY OF BIODEGRADATION
[J].
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES,
1992, 32 (05)
:474-482
[20]
LABUTE P, UNPUB SOURCE CODE MO