Man pages for PengGroup/indoortransformer
Predict Indoor Transformation Products
| findBonds | Detects specific functional groups in a molecule. |
| fragSites | Quickly detects specific functional groups in a molecule |
| makeSDF | Construct a new SDFset object for a single molecule from... |
| OPCproducts.Frag | Predict common fragments of OPCs (organophosphorus... |
| predict.Frag | Predict fragments from specified reaction events on a single... |
| predict.HOClAdd | Predicts the product of addition of HOCl to a single alkene... |
| predict.Hydrolysis | Predicts the products of hydrolysis at a phosphate ester... |
| predict.Oxi | Predicts the product of oxidation of a phosphine or... |
| predict.Ozonolysis | Predicts the products of ozonolysis at a single alkene group. |
| predict.Product | Predict reaction products of specified reactions with a... |
| predict.SecOzon | Predicts the secondary ozonide product of ozonolysis at a... |
| recursive.Frag | Recursive prediction of transformation products. |
| recursive.Predict | Recursive prediction of transformation products. |
| smartBonds | Quickly detects specific functional groups in a molecule |
| trans.Products | Predict indoor transformation products of organophosphorus... |
