| TorchLite | Torch |
| Load protein-ligand crystal structures to visualize favorable interactions | ✔ | ✔ |
| Load up to 10,000 molecules and convert them into 3D so 2D and 3D structures can be viewed side by side | ✔ | ✔ |
| Load results of a ligand or protein based virtual screening experiment | ✔ | ✔ |
| Study SAR of congeneric series by manually modifying structures and visualizing the change in the electrostatic and shape characteristics of the molecules | ✔ | ✔ |
| Activity Miner | | Option |
| Align and compare molecules using a common substructure or using electrostatic and shape characteristics | | ✔ |
| Gain immediate feedback on new designs using the ‘score while you draw’ feature | | ✔ |
| Automatically create energetically reasonable conformations for new designs and ensure these can bind to your target | | ✔ |
| Score new molecules against detailed 3D QSAR models from Cresset’s Forge software | | ✔ |
| Optimize more than potency with the optional StarDrop module to predict off-target effects | | ✔ |
| Virtual screen of 500 molecules | | ✔ |
