Merge pull request #27 from kmansouri/master

v2.7-beta1

Author: kmansouri

Install_guide.pdf

@@ -2,35 +2,35 @@ Structural properties:
     StrP v2.5     MW, nAtoms, nHeavyAtoms, nC, nO, nN, nAromAtom, nRing, nHeteroRing, Sp3Sp2HybRatio, nRotBd, nHBdAcc, nHBdDon, LipinskiFails, ToPolSurf, MRefract, Polarizability
 
 Physicochemical properties:
-    LogP v2.5     Octanol-water partition coefficient
-    MP   v2.5      Melting Point
-    BP   v2.5      Boiling Point at 760 mm Hg
-    VP   v2.5      Vapor Pressure
-    WS   v2.1     Water solubility at 25C
-    HL   v2.5      	Henrys Law constant (air/water partition coefficient)
-    KOA  v2.5     The octanol/air partition coefficient.
-    RT   v2.5      	HPLC retention time.
-    pKa  v2.5     	Logarithmic (acid) dissociation constant
-    LogD v2.5    Octanol-water distribution coefficient
+    LogP v2.6  Octanol-water partition coefficient
+    MP   v2.6  Melting Point
+    BP   v2.6  Boiling Point at 760 mm Hg
+    VP   v2.6  Vapor Pressure
+    WS   v2.6  Water solubility at 25C
+    HL   v2.6  Henrys Law constant (air/water partition coefficient)
+    KOA  v2.6  The octanol/air partition coefficient.
+    RT   v2.6  HPLC retention time.
+    pKa  v2.6  Logarithmic (acid) dissociation constant
+    LogD v2.6  Octanol-water distribution coefficient
 
 Environmental fate:
-    LogBCF  v2.5 	Fish bioconcentration factor
-    AOH     v2.5  	OH rate constant for atmospheric gas-phase reactions
-    BioDeg  v2.5  	Biodegradation half-life in days 
-    RBioDeg v2.5  	Ready biodegradability of organic chemicals
-    KM      v2.5     Whole body primary biotransformation rate constant.
-    KOC     v2.5     Soil adsorption coefficient of organic compounds.
+    LogBCF  v2.6 Fish bioconcentration factor
+    AOH     v2.6 OH rate constant for atmospheric gas-phase reactions
+    BioDeg  v2.6 Biodegradation half-life in days 
+    RBioDeg v2.6 Ready biodegradability of organic chemicals
+    KM      v2.6 Whole body primary biotransformation rate constant.
+    KOC     v2.6 Soil adsorption coefficient of organic compounds.
 
 Toxicity endpoints:
-    ER v2.5 Collaborative Estrogen Receptor Activity Prediction Project (CERAPP). Binding, Agonist and Antagonist ER activity
-    AR v2.5 Collaborative Modeling Project for Androgen Receptor Activity (CoMPARA). Binding, Agonist and Antagonist AR activity	
-    AcuteTox v2.5 Collaborative Acute Toxicity Modeling Suite (CATMoS). Very-Toxic, Non-Toxic, EPA categories, GHS categories, LD50 (Log mg/kg)
+    ER 	     v2.6 Collaborative Estrogen Receptor Activity Prediction Project (CERAPP). 
+    AR	     v2.6 Collaborative Modeling Project for Androgen Receptor Activity (CoMPARA). 	
+    AcuteTox v2.6 Collaborative Acute Toxicity Modeling Suite (CATMoS). 
 
 ADME endpoints:
-    FuB     v2.5 Human plasma fraction unbound 
-    Clint    v2.5 Human hepatic intrinsic clearance
+    FuB    v2.6 Human plasma fraction unbound 
+    Clint  v2.6 Human hepatic intrinsic clearance
 
 	For more information:
 -----------------------------
 [1] Mansouri K. et al. J Cheminform (2018) https://doi.org/10.1186/s13321-018-0263-1.
-[2] Mansouri, K. et al. SAR and QSAR in Env. Res. (2016). https://doi.org/10.1080/1062936X.2016.1253611
+[2] Mansouri, K. et al. SAR and QSAR in Env. Res. (2016). https://doi.org/10.1080/1062936X.2016.1253611