Chemked-II is a multi-purpose post-processor for viewing and analyzing results of chemical kinetics simulation. Information needed for the program operation is stored in solver files that are created by the Chemked-I tools directly from databases under...

Toxmatch

Toxmatch 1.07

Toxmatch is a flexible and user-friendly open-source software application that encodes several chemical similarity indices to facilitate the grouping of chemicals into categories and read-across. The core functionalities include the ability to compare...

Toxtree

Toxtree 2.5.4

Toxtree is a full-featured and flexible user-friendly open source application, which is able to estimate toxic hazard by applying a decision tree approach. Toxtree could be applied to datasets from various compatible file types. User-defined molecular...

Unit Scout understands calculations stated in terms of unit expressions (such as '100psi*ft^2') and converts them into SI units per default or every other unit specified by the user. No user interface is required. The program can be controlled from...

Tinker

Tinker 6.2.04

Tinker is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers. TINKER has the ability to use any of several common parameter sets, such as Amber (ff94, ff96, ff98, ff99,and ff99SB), CHARMM (19,...

Tinker is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers. TINKER has the ability to use any of several common parameter sets, such as Amber (ff94, ff96, ff98, ff99,and ff99SB), CHARMM (19,...