ChemDes

ChemDes

An integrated web-based platform for molecular descriptor and fingerprint computation

MOE-type descriptors (60)

1 TPSA Topological polar surface area based on fragments
2 LabuteASA Labute's Approximate Surface Area
3 SLOGPVSA MOE-type descriptors using SLogP contributions and surface area contributions
15 SMRVSA MOE-type descriptors using MR contributions and surface area contributions
25 PEOEVSA MOE-type descriptors using partial charges and surface area contributions
39 EstateVSA MOE-type descriptors using Estate indices and surface area contributions
50 VSAEstate MOE-type descriptors using surface area contributions and Estate indices

Visits since Mar 3, 2015

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