ALOGPS ALOGPS - Provides interactive on-line prediction of logP and aqueous solubility of compounds for drug design.
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predict logp prediction aqueous solubility compounds solubility logp aquenous

ALOGPS Description

ALOGPS - Provides interactive on-line prediction of logP and aqueous solubility of compounds for drug design. ALOGPS provides interactive on-line prediction of logP and aqueous solubility of compounds for drug design (ADME/T and HTS) and environmental chemistry studies. In addition to the ALOGPS 2.1 logP and logW it also displays values calculated with Pharma Algorithms LogP, LogS and pKa, Actelion LogP & LogS (many thanks to Dr Thomas Sander), COSMOfrag logP, Molinspiration logP, KOWWIN logP, ALOGP (Viswanadhan et al, 1989), MLOGP (Moriguchi et al, 1992) implemented in the DragonX software, XLOGP2 and XLOGP3 programs. The requests are sent to the corresponding servers and the results are displayed in the applet. Thus, you can compare several programs with one click. We are most grateful to all the people that helped us by contributing with their software.If you do not have Java, have a look at typical output and install it or use Non-Java Interface:1-octanol/water calculation: Program was developed with 12908 molecules from the PHYSPROP database using 75 E-state indicies. 64 neural networks were trained using 50% of molecules selected by chance from the whole set. The logP prediction accuracy is root mean squared error rms=0.35 and standard mean error s=0.26 .Aqueous solubility calculation: Program was developed using 1291 molecules and provided improved aqueous solubility prediction (rms=0.49, s=0.38) compared to our previous analysis .

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