http://www.biobyte.com/bb/prod/cqsar.htmlCQSAR Package ("The Works")QSAR:A regression program written for drug designers (i.e. those without extensive experience in statistics) which handles
CQSAR Package ("The Works")
A regression program written for drug designers (i.e. those without extensive experience in statistics) which handles linear and bi-linear equations with various transformation of variables (raised to powers, fractional, cross-products, etc.), and has 'jack-knifing' capability on all types.It's method of entry and verification of structures and parameters is very user-friendly, and it produces a variety of 2-D graphs as output.
Dual databases of QSAR equations relating bio- and physico-chemical activities to structural parameters.BIO currently contains 12,900+ equations, and PHYS over 8,900.Users find these valuable for validation ofnew equations as they are being developed; i.e. to see if the emerging structure-activity relationship bears a resemblance to others with known mechanisms.
A THOR database of 4300 substituent structures with up to 40 electronic and/or steric parameter types and 20,000 values, fully referenced.Preferred parameters are listed, and automatic loading to QSAR is a time-saving feature of C-QSAR.