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Home > Products > SYBYL-X > Ligand-Based Design

Ligand-Based Design

Ligand-based design techniques use information about one or several known actives (ligands) as a basis for the design of lead compounds. Tripos offers core science and workflow-centric applications to address critical ligand-based design tasks, such as structure-activity relationship modeling, pharmacophore hypothesis generation, molecular alignment, and ADME prediction.

Topomer CoMFA

Effortless 3D QSAR

Topomer Search

Exceptionally fast 3D ligand-based virtual screening

Surflex-Sim

Molecular Alignment and Virtual Screening

QSAR with CoMFA

Structure-activity and structure-property models

Advanced CoMFA

3D QSAR models

GALAHAD

Rapid, high quality pharmacophoric perception and molecular alignments

HQSAR

Automated QSAR analysis

VolSurf

ADME property prediction

Almond

Alignment independent molecular descriptors

Distill

Structure-activity relationship determination

ClogP/CMR

Molar refractivity and logP calculations

Tuplets

Pharmacophore-based virtual screening

GASP

Pharmacophore elucidation with conformational flexibility

DISCOtech

Pharmacophore elucidation from conformers